#------------------------------------------------------------------------------
#$Date: 2024-02-04 13:34:59 +0200 (Sun, 04 Feb 2024) $
#$Revision: 289431 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/05/1570539.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1570539
loop_
_publ_author_name
'Hasebe, Shodai'
'Hagiwara, Yuki'
'Ueno, Takashi'
'Asahi, Toru'
'Koshima, Hideko'
_publ_section_title
;
 Negative to positive axial thermal expansion switching of an organic
 crystal: contribution to multistep photoactuation.
;
_journal_issue                   3
_journal_name_full               'Chemical science'
_journal_page_first              1088
_journal_page_last               1097
_journal_paper_doi               10.1039/d3sc04796b
_journal_volume                  15
_journal_year                    2024
_chemical_formula_moiety         'C21 H26 N2 O3'
_chemical_formula_sum            'C21 H26 N2 O3'
_chemical_formula_weight         354.44
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2022-06-06
_audit_creation_method
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_audit_update_record
;
2023-08-31 deposited with the CCDC.	2023-12-11 downloaded from the CCDC.
;
_cell_angle_alpha                101.124(7)
_cell_angle_beta                 92.180(6)
_cell_angle_gamma                101.408(7)
_cell_formula_units_Z            2
_cell_length_a                   6.0394(8)
_cell_length_b                   10.3207(13)
_cell_length_c                   16.801(2)
_cell_measurement_reflns_used    7456
_cell_measurement_temperature    305.15
_cell_measurement_theta_max      68.055
_cell_measurement_theta_min      4.465
_cell_volume                     1004.1(2)
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/6 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      305.15
_diffrn_detector_area_resol_mean 10
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  RAPID
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.0680
_diffrn_reflns_av_unetI/netI     0.0690
_diffrn_reflns_Laue_measured_fraction_full 0.978
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11160
_diffrn_reflns_point_group_measured_fraction_full 0.978
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        67.687
_diffrn_reflns_theta_max         68.054
_diffrn_reflns_theta_min         4.465
_exptl_absorpt_coefficient_mu    0.630
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.6342
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ABSCOR(Rigaku,1995)
_exptl_crystal_colour            'clear yellowish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.172
_exptl_crystal_description       prism
_exptl_crystal_F_000             380
_exptl_crystal_size_max          1
_exptl_crystal_size_mid          0.6
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.136
_refine_diff_density_min         -0.235
_refine_diff_density_rms         0.051
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.120
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     273
_refine_ls_number_reflns         3586
_refine_ls_number_restraints     72
_refine_ls_restrained_S_all      1.124
_refine_ls_R_factor_all          0.1284
_refine_ls_R_factor_gt           0.0802
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0765P)²+0.1629P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1901
_refine_ls_wR_factor_ref         0.2133
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1930
_reflns_number_total             3586
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3sc04796b3.cif
_cod_data_source_block           32point0degC
_cod_depositor_comments
'Adding full bibliography for 1570536--1570543.cif.'
_cod_database_code               1570539
_shelxl_version_number           2014/6
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   1
_shelx_estimated_absorpt_t_min   0.6342
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Uiso/Uaniso restraints and constraints
C00I \\sim C1 \\sim C00R \\sim C2: within 2A with sigma of 0.04 and sigma for
terminal atoms of 0.08 within 2A
C00Q \\sim C00P \\sim C00I \\sim C00O: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08 within 2A
3. Rigid body (RIGU) restrains
 C1, C00I, C00R, C2
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C00I, C00P, C00O, C00Q
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4. Others
 Sof(C1)=Sof(H1A)=Sof(H1B)=Sof(H1C)=Sof(C2)=Sof(H2A)=Sof(H2B)=Sof(H2C)=
 Sof(C00R)=Sof(H00Y)=Sof(H)=Sof(HA)=1-FVAR(1)
 Sof(C00O)=Sof(H00P)=Sof(H00Q)=Sof(H00R)=Sof(C00P)=Sof(H00S)=Sof(H00T)=
 Sof(H00U)=Sof(C00Q)=Sof(H00V)=Sof(H00W)=Sof(H00X)=FVAR(1)
5.a Aromatic/amide H refined with riding coordinates:
 C008(H008), C00C(H00C), C00D(H00D), C00E(H00E), C00G(H00G), C00J(H00J),
 C00K(H00K)
5.b Idealised Me refined as rotating group:
 C00L(H00A,H00B,H00F), C00M(H00H,H00I,H00L), C00N(H00M,H00N,H00O), C00O(H00P,
 H00Q,H00R), C00P(H00S,H00T,H00U), C00Q(H00V,H00W,H00X), C1(H1A,H1B,H1C),
 C2(H2A,H2B,H2C), C00R(H00Y,H,HA)
5.c Idealised tetrahedral OH refined as rotating group:
 O001(H001)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O001 O 0.3529(4) 0.3987(2) 0.31656(13) 0.0802(7) Uani 1 1 d . . . . .
H001 H 0.2763 0.4427 0.3455 0.120 Uiso 1 1 calc R U . . .
N002 N 0.1900(4) 0.6064(2) 0.38131(15) 0.0714(7) Uani 1 1 d . . . . .
N3 N 0.1547(7) 0.9865(3) 0.60114(18) 0.0894(9) Uani 1 1 d . . . . .
O004 O 0.3559(6) 1.0287(3) 0.59759(17) 0.1240(11) Uani 1 1 d . . . . .
O5 O 0.0387(5) 1.0443(3) 0.64756(17) 0.1224(10) Uani 1 1 d . . . . .
C006 C 0.4622(5) 0.4747(3) 0.26664(17) 0.0635(8) Uani 1 1 d . . . . .
C007 C 0.4436(5) 0.6098(3) 0.27450(16) 0.0635(8) Uani 1 1 d . . . . .
C008 C 0.3065(5) 0.6707(3) 0.33368(18) 0.0694(8) Uani 1 1 d . . . . .
H008 H 0.3029 0.7613 0.3373 0.083 Uiso 1 1 calc R U . . .
C009 C 0.6902(5) 0.6371(3) 0.16622(17) 0.0645(8) Uani 1 1 d . . . . .
C00A C 0.0705(6) 0.6760(3) 0.44007(18) 0.0661(8) Uani 1 1 d . . . . .
C00B C 0.5958(5) 0.4179(3) 0.20952(17) 0.0634(8) Uani 1 1 d . . . . .
C00C C 0.5591(5) 0.6879(3) 0.22418(17) 0.0669(8) Uani 1 1 d . . . . .
H00C H 0.5469 0.7777 0.2301 0.080 Uiso 1 1 calc R U . . .
C00D C 0.7040(5) 0.5016(3) 0.16112(17) 0.0664(8) Uani 1 1 d . . . . .
H00D H 0.7926 0.4651 0.1223 0.080 Uiso 1 1 calc R U . . .
C00E C 0.1700(5) 0.7986(3) 0.48949(18) 0.0686(8) Uani 1 1 d . . . . .
H00E H 0.3184 0.8401 0.4841 0.082 Uiso 1 1 calc R U . . .
C00F C 0.0441(6) 0.8580(3) 0.54707(18) 0.0695(9) Uani 1 1 d . . . . .
C00G C -0.1501(6) 0.6167(3) 0.45008(19) 0.0760(9) Uani 1 1 d . . . . .
H00G H -0.2166 0.5332 0.4177 0.091 Uiso 1 1 calc R U . . .
C00H C 0.6219(6) 0.2708(3) 0.20042(19) 0.0716(9) Uani 1 1 d . . . . .
C00I C 0.8167(6) 0.7196(3) 0.10968(18) 0.0720(9) Uani 1 1 d . U . . .
C00J C -0.1755(6) 0.8020(4) 0.55671(19) 0.0780(10) Uani 1 1 d . . . . .
H00J H -0.2569 0.8452 0.5955 0.094 Uiso 1 1 calc R U . . .
C00K C -0.2726(6) 0.6791(4) 0.5071(2) 0.0829(10) Uani 1 1 d . . . . .
H00K H -0.4217 0.6385 0.5124 0.099 Uiso 1 1 calc R U . . .
C00L C 0.3904(6) 0.1740(3) 0.1790(2) 0.0947(11) Uani 1 1 d . . . . .
H00A H 0.2924 0.1933 0.2214 0.142 Uiso 1 1 calc R U . . .
H00B H 0.4093 0.0826 0.1736 0.142 Uiso 1 1 calc R U . . .
H00F H 0.3246 0.1855 0.1285 0.142 Uiso 1 1 calc R U . . .
C00M C 0.7299(6) 0.2506(3) 0.2804(2) 0.0945(11) Uani 1 1 d . . . . .
H00H H 0.8751 0.3109 0.2935 0.142 Uiso 1 1 calc R U . . .
H00I H 0.7485 0.1591 0.2741 0.142 Uiso 1 1 calc R U . . .
H00L H 0.6334 0.2694 0.3234 0.142 Uiso 1 1 calc R U . . .
C00N C 0.7771(6) 0.2342(3) 0.1336(2) 0.1007(12) Uani 1 1 d . . . . .
H00M H 0.7122 0.2431 0.0823 0.151 Uiso 1 1 calc R U . . .
H00N H 0.7932 0.1426 0.1303 0.151 Uiso 1 1 calc R U . . .
H00O H 0.9231 0.2937 0.1460 0.151 Uiso 1 1 calc R U . . .
C00O C 0.7679(11) 0.8600(5) 0.1209(4) 0.116(2) Uani 0.780(6) 1 d . U P A 1
H00P H 0.8136 0.9074 0.1759 0.174 Uiso 0.780(6) 1 calc R U P A 1
H00Q H 0.6085 0.8536 0.1099 0.174 Uiso 0.780(6) 1 calc R U P A 1
H00R H 0.8505 0.9080 0.0841 0.174 Uiso 0.780(6) 1 calc R U P A 1
C00P C 0.7456(11) 0.6483(5) 0.0211(3) 0.106(2) Uani 0.780(6) 1 d . U P A 1
H00S H 0.8287 0.6989 -0.0145 0.160 Uiso 0.780(6) 1 calc R U P A 1
H00T H 0.5863 0.6418 0.0100 0.160 Uiso 0.780(6) 1 calc R U P A 1
H00U H 0.7774 0.5593 0.0122 0.160 Uiso 0.780(6) 1 calc R U P A 1
C00Q C 1.0698(9) 0.7315(7) 0.1258(4) 0.120(2) Uani 0.780(6) 1 d . U P A 1
H00V H 1.1033 0.6429 0.1169 0.179 Uiso 0.780(6) 1 calc R U P A 1
H00W H 1.1162 0.7769 0.1812 0.179 Uiso 0.780(6) 1 calc R U P A 1
H00X H 1.1500 0.7822 0.0897 0.179 Uiso 0.780(6) 1 calc R U P A 1
C1 C 0.644(3) 0.774(2) 0.0613(12) 0.097(5) Uani 0.220(6) 1 d . U P A 2
H1A H 0.7233 0.8303 0.0276 0.146 Uiso 0.220(6) 1 calc R U P A 2
H1B H 0.5628 0.8266 0.0987 0.146 Uiso 0.220(6) 1 calc R U P A 2
H1C H 0.5390 0.7000 0.0278 0.146 Uiso 0.220(6) 1 calc R U P A 2
C2 C 0.988(3) 0.8507(18) 0.1656(10) 0.093(5) Uani 0.220(6) 1 d . U P A 2
H2A H 1.0877 0.8209 0.2009 0.139 Uiso 0.220(6) 1 calc R U P A 2
H2B H 0.9019 0.9069 0.1977 0.139 Uiso 0.220(6) 1 calc R U P A 2
H2C H 1.0764 0.9011 0.1310 0.139 Uiso 0.220(6) 1 calc R U P A 2
C00R C 0.963(4) 0.648(2) 0.0534(14) 0.111(6) Uani 0.220(6) 1 d . U P A 2
H00Y H 1.0840 0.6284 0.0849 0.166 Uiso 0.220(6) 1 calc R U P A 2
H H 1.0250 0.7039 0.0170 0.166 Uiso 0.220(6) 1 calc R U P A 2
HA H 0.8727 0.5645 0.0226 0.166 Uiso 0.220(6) 1 calc R U P A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C006 O001 H001 109.5 . . ?
C008 N002 C00A 119.5(3) . . ?
O004 N3 O5 123.6(4) . . ?
O004 N3 C00F 118.6(3) . . ?
O5 N3 C00F 117.8(4) . . ?
O001 C006 C007 119.7(3) . . ?
O001 C006 C00B 119.3(3) . . ?
C00B C006 C007 121.0(3) . . ?
C006 C007 C008 121.8(3) . . ?
C00C C007 C006 119.4(3) . . ?
C00C C007 C008 118.8(3) . . ?
N002 C008 C007 123.4(3) . . ?
N002 C008 H008 118.3 . . ?
C007 C008 H008 118.3 . . ?
C00C C009 C00D 116.1(3) . . ?
C00C C009 C00I 123.4(3) . . ?
C00D C009 C00I 120.5(3) . . ?
C00E C00A N002 122.0(3) . . ?
C00E C00A C00G 119.3(3) . . ?
C00G C00A N002 118.7(3) . . ?
C006 C00B C00H 122.0(3) . . ?
C00D C00B C006 116.3(3) . . ?
C00D C00B C00H 121.7(3) . . ?
C007 C00C H00C 118.9 . . ?
C009 C00C C007 122.2(3) . . ?
C009 C00C H00C 118.9 . . ?
C009 C00D H00D 117.5 . . ?
C00B C00D C009 125.0(3) . . ?
C00B C00D H00D 117.5 . . ?
C00A C00E H00E 120.8 . . ?
C00F C00E C00A 118.5(3) . . ?
C00F C00E H00E 120.8 . . ?
C00E C00F N3 117.9(3) . . ?
C00J C00F N3 119.1(3) . . ?
C00J C00F C00E 123.0(3) . . ?
C00A C00G H00G 119.5 . . ?
C00K C00G C00A 121.0(3) . . ?
C00K C00G H00G 119.5 . . ?
C00B C00H C00M 109.7(3) . . ?
C00L C00H C00B 110.4(3) . . ?
C00L C00H C00M 109.6(3) . . ?
C00N C00H C00B 111.4(2) . . ?
C00N C00H C00L 108.3(3) . . ?
C00N C00H C00M 107.3(3) . . ?
C009 C00I C00P 109.5(3) . . ?
C009 C00I C1 109.0(6) . . ?
C009 C00I C2 108.2(6) . . ?
C00O C00I C009 112.4(3) . . ?
C00O C00I C00P 107.9(4) . . ?
C00O C00I C00Q 108.8(4) . . ?
C00Q C00I C009 109.3(3) . . ?
C00Q C00I C00P 108.9(4) . . ?
C1 C00I C2 106.9(11) . . ?
C00R C00I C009 115.2(7) . . ?
C00R C00I C1 111.2(12) . . ?
C00R C00I C2 105.9(11) . . ?
C00F C00J H00J 121.0 . . ?
C00F C00J C00K 118.0(3) . . ?
C00K C00J H00J 121.0 . . ?
C00G C00K C00J 120.3(3) . . ?
C00G C00K H00K 119.9 . . ?
C00J C00K H00K 119.9 . . ?
C00H C00L H00A 109.5 . . ?
C00H C00L H00B 109.5 . . ?
C00H C00L H00F 109.5 . . ?
H00A C00L H00B 109.5 . . ?
H00A C00L H00F 109.5 . . ?
H00B C00L H00F 109.5 . . ?
C00H C00M H00H 109.5 . . ?
C00H C00M H00I 109.5 . . ?
C00H C00M H00L 109.5 . . ?
H00H C00M H00I 109.5 . . ?
H00H C00M H00L 109.5 . . ?
H00I C00M H00L 109.5 . . ?
C00H C00N H00M 109.5 . . ?
C00H C00N H00N 109.5 . . ?
C00H C00N H00O 109.5 . . ?
H00M C00N H00N 109.5 . . ?
H00M C00N H00O 109.5 . . ?
H00N C00N H00O 109.5 . . ?
C00I C00O H00P 109.5 . . ?
C00I C00O H00Q 109.5 . . ?
C00I C00O H00R 109.5 . . ?
H00P C00O H00Q 109.5 . . ?
H00P C00O H00R 109.5 . . ?
H00Q C00O H00R 109.5 . . ?
C00I C00P H00S 109.5 . . ?
C00I C00P H00T 109.5 . . ?
C00I C00P H00U 109.5 . . ?
H00S C00P H00T 109.5 . . ?
H00S C00P H00U 109.5 . . ?
H00T C00P H00U 109.5 . . ?
C00I C00Q H00V 109.5 . . ?
C00I C00Q H00W 109.5 . . ?
C00I C00Q H00X 109.5 . . ?
H00V C00Q H00W 109.5 . . ?
H00V C00Q H00X 109.5 . . ?
H00W C00Q H00X 109.5 . . ?
C00I C1 H1A 109.5 . . ?
C00I C1 H1B 109.5 . . ?
C00I C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C00I C2 H2A 109.5 . . ?
C00I C2 H2B 109.5 . . ?
C00I C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C00I C00R H00Y 109.5 . . ?
C00I C00R H 109.5 . . ?
C00I C00R HA 109.5 . . ?
H00Y C00R H 109.5 . . ?
H00Y C00R HA 109.5 . . ?
H C00R HA 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O001 H001 0.8200 . ?
O001 C006 1.359(3) . ?
N002 C008 1.280(3) . ?
N002 C00A 1.413(4) . ?
N3 O004 1.215(4) . ?
N3 O5 1.217(3) . ?
N3 C00F 1.473(4) . ?
C006 C007 1.402(4) . ?
C006 C00B 1.394(4) . ?
C007 C008 1.448(4) . ?
C007 C00C 1.392(4) . ?
C008 H008 0.9300 . ?
C009 C00C 1.370(4) . ?
C009 C00D 1.404(4) . ?
C009 C00I 1.524(4) . ?
C00A C00E 1.381(4) . ?
C00A C00G 1.383(4) . ?
C00B C00D 1.387(4) . ?
C00B C00H 1.536(4) . ?
C00C H00C 0.9300 . ?
C00D H00D 0.9300 . ?
C00E H00E 0.9300 . ?
C00E C00F 1.379(4) . ?
C00F C00J 1.367(4) . ?
C00G H00G 0.9300 . ?
C00G C00K 1.373(4) . ?
C00H C00L 1.533(4) . ?
C00H C00M 1.539(4) . ?
C00H C00N 1.530(4) . ?
C00I C00O 1.513(5) . ?
C00I C00P 1.531(5) . ?
C00I C00Q 1.519(6) . ?
C00I C1 1.554(17) . ?
C00I C2 1.633(17) . ?
C00I C00R 1.510(17) . ?
C00J H00J 0.9300 . ?
C00J C00K 1.380(4) . ?
C00K H00K 0.9300 . ?
C00L H00A 0.9600 . ?
C00L H00B 0.9600 . ?
C00L H00F 0.9600 . ?
C00M H00H 0.9600 . ?
C00M H00I 0.9600 . ?
C00M H00L 0.9600 . ?
C00N H00M 0.9600 . ?
C00N H00N 0.9600 . ?
C00N H00O 0.9600 . ?
C00O H00P 0.9600 . ?
C00O H00Q 0.9600 . ?
C00O H00R 0.9600 . ?
C00P H00S 0.9600 . ?
C00P H00T 0.9600 . ?
C00P H00U 0.9600 . ?
C00Q H00V 0.9600 . ?
C00Q H00W 0.9600 . ?
C00Q H00X 0.9600 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C00R H00Y 0.9600 . ?
C00R H 0.9600 . ?
C00R HA 0.9600 . ?
