#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/00/2230072.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2230072
loop_
_publ_author_name
'Fun, Hoong-Kun'
'Quah, Ching Kheng'
'Huang, Chengmei'
'Yu, Haitao'
_publ_section_title
;
 (1S*,4'S*,5R*)-1-Isopropyl-5-methoxy-2',3-dimethyl-4,6-dioxa-2-azaspiro[bicyclo[3.2.0]hept-2-ene-7,4'-isoquinoline]-1',3'(2'H,4'H)-dione
;
_journal_coeditor_code           LH5237
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1271
_journal_page_last               o1272
_journal_paper_doi               10.1107/S1600536811015315
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          'C18 H20 N2 O5'
_chemical_formula_moiety         'C18 H20 N2 O5'
_chemical_formula_sum            'C18 H20 N2 O5'
_chemical_formula_weight         344.36
_chemical_name_systematic
;
(1S*,4'S*,5R*)-1-Isopropyl-5-methoxy-2',3-dimethyl-
4,6-dioxa-2-azaspiro[bicyclo[3.2.0]hept-2-ene-7,4'-isoquinoline]-
1',3'(2'H,4'H)-dione
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.6410(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.5721(2)
_cell_length_b                   10.4260(2)
_cell_length_c                   15.7633(3)
_cell_measurement_reflns_used    9966
_cell_measurement_temperature    100
_cell_measurement_theta_max      32.65
_cell_measurement_theta_min      2.64
_cell_volume                     1701.77(6)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
'SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type
;
Bruker SMART APEXII CCD area-detector
;
_diffrn_measurement_method       'φ and ω'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0260
_diffrn_reflns_av_sigmaI/netI    0.0260
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            23124
_diffrn_reflns_theta_full        32.70
_diffrn_reflns_theta_max         32.70
_diffrn_reflns_theta_min         1.97
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.099
_exptl_absorpt_correction_T_max  0.9661
_exptl_absorpt_correction_T_min  0.9512
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2009)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.344
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             728
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.35
_refine_diff_density_max         0.489
_refine_diff_density_min         -0.213
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     231
_refine_ls_number_reflns         6242
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0484
_refine_ls_R_factor_gt           0.0399
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0531P)²+0.4865P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1026
_refine_ls_wR_factor_ref         0.1081
_reflns_number_gt                5286
_reflns_number_total             6242
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            lh5237.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2230072
_cod_database_fobs_code          2230072
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_disorder_assembly
_atom_site_disorder_group
O O1 0.83725(6) 0.47548(7) 0.19496(4) 0.01927(13) Uani d . 1 1 . .
O O2 0.43236(7) 0.35091(9) 0.21065(5) 0.03015(18) Uani d . 1 1 . .
O O3 0.80900(6) 0.41336(6) 0.02423(4) 0.01457(12) Uani d . 1 1 . .
O O4 1.01024(6) 0.31366(6) 0.07000(4) 0.01661(12) Uani d . 1 1 . .
O O5 0.88314(6) 0.26083(6) -0.06194(4) 0.01730(13) Uani d . 1 1 . .
N N1 0.64083(7) 0.39850(8) 0.20730(4) 0.01585(14) Uani d . 1 1 . .
N N2 0.90028(7) 0.20947(7) 0.15999(5) 0.01627(14) Uani d . 1 1 . .
C C1 0.74047(8) 0.41697(8) 0.16262(5) 0.01427(14) Uani d . 1 1 . .
C C2 0.51566(8) 0.36231(9) 0.16792(5) 0.01791(16) Uani d . 1 1 . .
C C3 0.48885(8) 0.34408(8) 0.07267(5) 0.01483(15) Uani d . 1 1 . .
C C4 0.36037(8) 0.32910(9) 0.02963(6) 0.01775(16) Uani d . 1 1 . .
H H4A 0.2944 0.3288 0.0608 0.021 Uiso calc R 1 1 . .
C C5 0.33188(9) 0.31473(9) -0.05953(6) 0.01878(16) Uani d . 1 1 . .
H H5A 0.2467 0.3038 -0.0883 0.023 Uiso calc R 1 1 . .
C C6 0.43059(9) 0.31659(9) -0.10635(5) 0.01847(16) Uani d . 1 1 . .
H H6A 0.4110 0.3070 -0.1662 0.022 Uiso calc R 1 1 . .
C C7 0.55824(8) 0.33279(8) -0.06381(5) 0.01616(15) Uani d . 1 1 . .
H H7A 0.6237 0.3353 -0.0953 0.019 Uiso calc R 1 1 . .
C C8 0.58806(8) 0.34536(8) 0.02622(5) 0.01330(14) Uani d . 1 1 . .
C C9 0.72502(8) 0.35261(8) 0.07458(5) 0.01283(14) Uani d . 1 1 . .
C C10 0.88181(8) 0.29935(8) 0.01999(5) 0.01360(14) Uani d . 1 1 . .
C C11 1.00499(8) 0.26235(9) 0.14963(5) 0.01693(15) Uani d . 1 1 . .
C C12 0.80770(8) 0.22272(8) 0.07841(5) 0.01327(14) Uani d . 1 1 . .
C C13 0.73890(8) 0.09734(8) 0.04853(6) 0.01698(15) Uani d . 1 1 . .
H H13A 0.6784 0.1133 -0.0063 0.020 Uiso calc R 1 1 . .
C C14 0.66170(10) 0.04867(9) 0.11444(7) 0.02400(19) Uani d . 1 1 . .
H H14A 0.5977 0.1111 0.1211 0.036 Uiso calc R 1 1 . .
H H14B 0.7190 0.0350 0.1692 0.036 Uiso calc R 1 1 . .
H H14C 0.6200 -0.0306 0.0944 0.036 Uiso calc R 1 1 . .
C C15 0.83697(10) -0.00346(9) 0.03243(7) 0.02421(19) Uani d . 1 1 . .
H H15A 0.8840 0.0289 -0.0091 0.036 Uiso calc R 1 1 . .
H H15B 0.7923 -0.0805 0.0105 0.036 Uiso calc R 1 1 . .
H H15C 0.8960 -0.0218 0.0858 0.036 Uiso calc R 1 1 . .
C C16 0.66478(10) 0.43923(10) 0.29833(5) 0.02245(18) Uani d . 1 1 . .
H H16A 0.7481 0.4091 0.3275 0.034 Uiso calc R 1 1 . .
H H16B 0.5994 0.4041 0.3259 0.034 Uiso calc R 1 1 . .
H H16C 0.6625 0.5312 0.3012 0.034 Uiso calc R 1 1 . .
C C17 0.92704(10) 0.35916(10) -0.11451(6) 0.02420(19) Uani d . 1 1 . .
H H17A 0.9248 0.3263 -0.1717 0.036 Uiso calc R 1 1 . .
H H17B 1.0138 0.3836 -0.0887 0.036 Uiso calc R 1 1 . .
H H17C 0.8715 0.4326 -0.1180 0.036 Uiso calc R 1 1 . .
C C18 1.12452(9) 0.27703(11) 0.21661(6) 0.0258(2) Uani d . 1 1 . .
H H18A 1.1267 0.2126 0.2604 0.039 Uiso calc R 1 1 . .
H H18B 1.1258 0.3605 0.2425 0.039 Uiso calc R 1 1 . .
H H18C 1.1984 0.2675 0.1904 0.039 Uiso calc R 1 1 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C10 O3 C9 . . 93.30(6) ?
C11 O4 C10 . . 104.66(6) ?
C10 O5 C17 . . 113.61(7) ?
C1 N1 C2 . . 123.92(7) ?
C1 N1 C16 . . 117.07(7) ?
C2 N1 C16 . . 118.29(7) ?
C11 N2 C12 . . 106.96(7) ?
O1 C1 N1 . . 121.13(7) ?
O1 C1 C9 . . 122.16(7) ?
N1 C1 C9 . . 116.58(7) ?
O2 C2 N1 . . 120.47(8) ?
O2 C2 C3 . . 122.39(8) ?
N1 C2 C3 . . 117.09(7) ?
C8 C3 C4 . . 120.38(7) ?
C8 C3 C2 . . 121.32(7) ?
C4 C3 C2 . . 118.28(8) ?
C5 C4 C3 . . 119.69(8) ?
C5 C4 H4A . . 120.2 ?
C3 C4 H4A . . 120.2 ?
C4 C5 C6 . . 120.19(8) ?
C4 C5 H5A . . 119.9 ?
C6 C5 H5A . . 119.9 ?
C7 C6 C5 . . 120.23(8) ?
C7 C6 H6A . . 119.9 ?
C5 C6 H6A . . 119.9 ?
C6 C7 C8 . . 119.97(8) ?
C6 C7 H7A . . 120.0 ?
C8 C7 H7A . . 120.0 ?
C3 C8 C7 . . 119.53(7) ?
C3 C8 C9 . . 119.08(7) ?
C7 C8 C9 . . 121.29(7) ?
O3 C9 C8 . . 112.32(6) ?
O3 C9 C1 . . 109.99(6) ?
C8 C9 C1 . . 113.71(7) ?
O3 C9 C12 . . 90.01(6) ?
C8 C9 C12 . . 116.10(6) ?
C1 C9 C12 . . 112.35(6) ?
O5 C10 O3 . . 113.67(7) ?
O5 C10 O4 . . 111.35(7) ?
O3 C10 O4 . . 110.37(6) ?
O5 C10 C12 . . 121.22(7) ?
O3 C10 C12 . . 93.42(6) ?
O4 C10 C12 . . 105.29(6) ?
N2 C11 O4 . . 118.71(7) ?
N2 C11 C18 . . 126.18(8) ?
O4 C11 C18 . . 115.10(8) ?
N2 C12 C13 . . 112.66(7) ?
N2 C12 C10 . . 104.11(6) ?
C13 C12 C10 . . 121.79(7) ?
N2 C12 C9 . . 112.13(6) ?
C13 C12 C9 . . 119.31(7) ?
C10 C12 C9 . . 83.07(6) ?
C12 C13 C14 . . 111.17(7) ?
C12 C13 C15 . . 110.04(7) ?
C14 C13 C15 . . 110.86(8) ?
C12 C13 H13A . . 108.2 ?
C14 C13 H13A . . 108.2 ?
C15 C13 H13A . . 108.2 ?
C13 C14 H14A . . 109.5 ?
C13 C14 H14B . . 109.5 ?
H14A C14 H14B . . 109.5 ?
C13 C14 H14C . . 109.5 ?
H14A C14 H14C . . 109.5 ?
H14B C14 H14C . . 109.5 ?
C13 C15 H15A . . 109.5 ?
C13 C15 H15B . . 109.5 ?
H15A C15 H15B . . 109.5 ?
C13 C15 H15C . . 109.5 ?
H15A C15 H15C . . 109.5 ?
H15B C15 H15C . . 109.5 ?
N1 C16 H16A . . 109.5 ?
N1 C16 H16B . . 109.5 ?
H16A C16 H16B . . 109.5 ?
N1 C16 H16C . . 109.5 ?
H16A C16 H16C . . 109.5 ?
H16B C16 H16C . . 109.5 ?
O5 C17 H17A . . 109.5 ?
O5 C17 H17B . . 109.5 ?
H17A C17 H17B . . 109.5 ?
O5 C17 H17C . . 109.5 ?
H17A C17 H17C . . 109.5 ?
H17B C17 H17C . . 109.5 ?
C11 C18 H18A . . 109.5 ?
C11 C18 H18B . . 109.5 ?
H18A C18 H18B . . 109.5 ?
C11 C18 H18C . . 109.5 ?
H18A C18 H18C . . 109.5 ?
H18B C18 H18C . . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
O1 C1 . 1.2118(10) ?
O2 C2 . 1.2176(11) ?
O3 C10 . 1.4250(10) ?
O3 C9 . 1.4504(10) ?
O4 C11 . 1.3759(10) ?
O4 C10 . 1.4336(10) ?
O5 C10 . 1.3553(10) ?
O5 C17 . 1.4520(11) ?
N1 C1 . 1.3937(11) ?
N1 C2 . 1.3955(11) ?
N1 C16 . 1.4686(11) ?
N2 C11 . 1.2764(11) ?
N2 C12 . 1.4569(10) ?
C1 C9 . 1.5203(11) ?
C2 C3 . 1.4830(12) ?
C3 C8 . 1.3950(11) ?
C3 C4 . 1.3991(12) ?
C4 C5 . 1.3849(12) ?
C4 H4A . 0.9300 ?
C5 C6 . 1.3947(13) ?
C5 H5A . 0.9300 ?
C6 C7 . 1.3907(12) ?
C6 H6A . 0.9300 ?
C7 C8 . 1.3965(11) ?
C7 H7A . 0.9300 ?
C8 C9 . 1.4960(11) ?
C9 C12 . 1.6063(12) ?
C10 C12 . 1.5464(11) ?
C11 C18 . 1.4822(12) ?
C12 C13 . 1.5237(12) ?
C13 C14 . 1.5314(13) ?
C13 C15 . 1.5330(13) ?
C13 H13A . 0.9800 ?
C14 H14A . 0.9600 ?
C14 H14B . 0.9600 ?
C14 H14C . 0.9600 ?
C15 H15A . 0.9600 ?
C15 H15B . 0.9600 ?
C15 H15C . 0.9600 ?
C16 H16A . 0.9600 ?
C16 H16B . 0.9600 ?
C16 H16C . 0.9600 ?
C17 H17A . 0.9600 ?
C17 H17B . 0.9600 ?
C17 H17C . 0.9600 ?
C18 H18A . 0.9600 ?
C18 H18B . 0.9600 ?
C18 H18C . 0.9600 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
C6 H6A O2 4_565 0.93 2.59 3.3754(12) 143 yes
C15 H15A O5 . 0.96 2.56 3.2151(12) 126 yes
C18 H18A O1 2_745 0.96 2.58 3.4298(13) 148 yes
C18 H18C O2 1_655 0.96 2.58 3.3641(12) 139 yes
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C2 N1 C1 O1 . . . . 162.97(9) ?
C16 N1 C1 O1 . . . . -7.11(12) ?
C2 N1 C1 C9 . . . . -21.02(12) ?
C16 N1 C1 C9 . . . . 168.91(7) ?
C1 N1 C2 O2 . . . . -178.18(9) ?
C16 N1 C2 O2 . . . . -8.22(14) ?
C1 N1 C2 C3 . . . . -0.57(13) ?
C16 N1 C2 C3 . . . . 169.39(8) ?
O2 C2 C3 C8 . . . . -173.71(9) ?
N1 C2 C3 C8 . . . . 8.73(12) ?
O2 C2 C3 C4 . . . . 8.11(14) ?
N1 C2 C3 C4 . . . . -169.45(8) ?
C8 C3 C4 C5 . . . . 0.38(13) ?
C2 C3 C4 C5 . . . . 178.58(8) ?
C3 C4 C5 C6 . . . . -0.71(13) ?
C4 C5 C6 C7 . . . . 0.05(13) ?
C5 C6 C7 C8 . . . . 0.95(13) ?
C4 C3 C8 C7 . . . . 0.61(12) ?
C2 C3 C8 C7 . . . . -177.53(8) ?
C4 C3 C8 C9 . . . . -175.90(8) ?
C2 C3 C8 C9 . . . . 5.95(12) ?
C6 C7 C8 C3 . . . . -1.27(12) ?
C6 C7 C8 C9 . . . . 175.16(8) ?
C10 O3 C9 C8 . . . . -114.88(7) ?
C10 O3 C9 C1 . . . . 117.40(7) ?
C10 O3 C9 C12 . . . . 3.52(6) ?
C3 C8 C9 O3 . . . . -152.15(7) ?
C7 C8 C9 O3 . . . . 31.40(10) ?
C3 C8 C9 C1 . . . . -26.43(10) ?
C7 C8 C9 C1 . . . . 157.12(8) ?
C3 C8 C9 C12 . . . . 106.23(8) ?
C7 C8 C9 C12 . . . . -70.21(10) ?
O1 C1 C9 O3 . . . . -23.47(11) ?
N1 C1 C9 O3 . . . . 160.56(7) ?
O1 C1 C9 C8 . . . . -150.42(8) ?
N1 C1 C9 C8 . . . . 33.61(10) ?
O1 C1 C9 C12 . . . . 75.15(10) ?
N1 C1 C9 C12 . . . . -100.83(8) ?
C17 O5 C10 O3 . . . . 54.68(9) ?
C17 O5 C10 O4 . . . . -70.72(9) ?
C17 O5 C10 C12 . . . . 164.67(8) ?
C9 O3 C10 O5 . . . . 122.71(7) ?
C9 O3 C10 O4 . . . . -111.37(6) ?
C9 O3 C10 C12 . . . . -3.67(6) ?
C11 O4 C10 O5 . . . . -138.23(7) ?
C11 O4 C10 O3 . . . . 94.54(7) ?
C11 O4 C10 C12 . . . . -5.10(8) ?
C12 N2 C11 O4 . . . . -1.58(11) ?
C12 N2 C11 C18 . . . . 177.19(9) ?
C10 O4 C11 N2 . . . . 4.53(11) ?
C10 O4 C11 C18 . . . . -174.37(8) ?
C11 N2 C12 C13 . . . . 132.03(8) ?
C11 N2 C12 C10 . . . . -1.88(9) ?
C11 N2 C12 C9 . . . . -90.04(8) ?
O5 C10 C12 N2 . . . . 131.75(8) ?
O3 C10 C12 N2 . . . . -107.82(6) ?
O4 C10 C12 N2 . . . . 4.38(8) ?
O5 C10 C12 C13 . . . . 3.21(12) ?
O3 C10 C12 C13 . . . . 123.64(8) ?
O4 C10 C12 C13 . . . . -124.16(8) ?
O5 C10 C12 C9 . . . . -117.10(8) ?
O3 C10 C12 C9 . . . . 3.33(5) ?
O4 C10 C12 C9 . . . . 115.52(6) ?
O3 C9 C12 N2 . . . . 99.19(7) ?
C8 C9 C12 N2 . . . . -145.79(7) ?
C1 C9 C12 N2 . . . . -12.51(9) ?
O3 C9 C12 C13 . . . . -125.97(7) ?
C8 C9 C12 C13 . . . . -10.95(10) ?
C1 C9 C12 C13 . . . . 122.33(8) ?
O3 C9 C12 C10 . . . . -3.26(5) ?
C8 C9 C12 C10 . . . . 111.76(7) ?
C1 C9 C12 C10 . . . . -114.96(7) ?
N2 C12 C13 C14 . . . . 61.23(9) ?
C10 C12 C13 C14 . . . . -174.06(7) ?
C9 C12 C13 C14 . . . . -73.40(9) ?
N2 C12 C13 C15 . . . . -61.98(9) ?
C10 C12 C13 C15 . . . . 62.73(10) ?
C9 C12 C13 C15 . . . . 163.39(7) ?
