#------------------------------------------------------------------------------
#$Date: 2017-02-04 16:07:17 +0200 (Sat, 04 Feb 2017) $
#$Revision: 191690 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/12/7041275.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_7041275
loop_
_publ_author_name
'Rigo, Massimo'
'Hettmanczyk, Lara'
'Heutz, Frank J. L.'
'Hohloch, Stephan'
'Lutz, Martin'
'Sarkar, Biprajit'
'Müller, Christian'
_publ_section_title
;
 Phosphinines versus mesoionic carbenes: a comparison of structurally
 related ligands in Au(i)-catalysis.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              86
_journal_page_last               95
_journal_paper_doi               10.1039/c6dt03766f
_journal_volume                  46
_journal_year                    2016
_chemical_formula_moiety         'C26 H23 Au Cl P, C4 H8 O'
_chemical_formula_sum            'C30 H31 Au Cl O P'
_chemical_formula_weight         670.93
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-09-08 deposited with the CCDC.
2016-11-21 downloaded from the CCDC.
;
_cell_angle_alpha                109.0598(7)
_cell_angle_beta                 91.5964(6)
_cell_angle_gamma                93.8629(5)
_cell_formula_units_Z            2
_cell_length_a                   9.8535(1)
_cell_length_b                   10.2395(1)
_cell_length_c                   13.9713(2)
_cell_measurement_reflns_used    35535
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.02
_cell_volume                     1327.47(3)
_computing_cell_refinement       HKL2000
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        'HKL2000, denzox, Sadabs'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    SHELXS-97
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0331
_diffrn_reflns_av_unetI/netI     0.0329
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            19592
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.517
_diffrn_reflns_theta_min         2.651
_diffrn_source                   'rotating anode'
_exptl_absorpt_coefficient_mu    5.723
_exptl_absorpt_correction_T_max  0.4305
_exptl_absorpt_correction_T_min  0.1356
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2006/1
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.679
_exptl_crystal_description       block
_exptl_crystal_F_000             660
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.48
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.459
_refine_diff_density_min         -1.280
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     310
_refine_ls_number_reflns         6051
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0273
_refine_ls_R_factor_gt           0.0236
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0223P)²+1.3019P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0534
_refine_ls_wR_factor_ref         0.0547
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5590
_reflns_number_total             6051
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt03766f2.cif
_cod_data_source_block           s4081a
_cod_depositor_comments
'Adding full bibliography for 7041274--7041275.cif.'
_cod_database_code               7041275
_shelx_shelxl_version_number     2014/7
_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.
;
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
Au1 Au 0.34267(2) 0.45443(2) 0.45164(2) 0.02437(5) Uani 1 1 d . .
Cl1 Cl 0.33789(9) 0.29076(8) 0.52872(6) 0.03650(18) Uani 1 1 d . .
P1 P 0.32725(8) 0.60933(8) 0.37410(5) 0.02254(15) Uani 1 1 d . .
C1 C 0.2417(3) 0.7557(3) 0.4198(2) 0.0223(6) Uani 1 1 d . .
C2 C 0.2152(3) 0.8398(3) 0.3619(2) 0.0230(6) Uani 1 1 d . .
C3 C 0.2625(3) 0.8140(3) 0.2635(2) 0.0228(6) Uani 1 1 d . .
C4 C 0.3335(3) 0.6986(3) 0.2153(2) 0.0238(6) Uani 1 1 d . .
H4 H 0.3605 0.6901 0.1489 0.029 Uiso 1 1 calc R U
C5 C 0.3687(3) 0.5957(3) 0.2526(2) 0.0228(6) Uani 1 1 d . .
C6 C 0.1914(3) 0.7838(3) 0.5248(2) 0.0244(6) Uani 1 1 d . .
C7 C 0.2604(3) 0.8856(3) 0.6071(2) 0.0257(6) Uani 1 1 d . .
C8 C 0.2091(3) 0.9125(3) 0.7042(2) 0.0302(7) Uani 1 1 d . .
C9 C 0.0916(4) 0.8380(4) 0.7150(2) 0.0353(7) Uani 1 1 d . .
H9 H 0.0560 0.8572 0.7802 0.042 Uiso 1 1 calc R U
C10 C 0.0250(3) 0.7374(4) 0.6343(3) 0.0366(8) Uani 1 1 d . .
H10 H -0.0552 0.6874 0.6441 0.044 Uiso 1 1 calc R U
C11 C 0.0745(3) 0.7083(3) 0.5382(2) 0.0316(7) Uani 1 1 d . .
H11 H 0.0293 0.6377 0.4821 0.038 Uiso 1 1 calc R U
C12 C 0.3869(4) 0.9645(3) 0.5930(2) 0.0350(7) Uani 1 1 d . .
H12A H 0.3655 1.0570 0.5940 0.052 Uiso 1 1 calc R U
H12B H 0.4238 0.9150 0.5278 0.052 Uiso 1 1 calc R U
H12C H 0.4544 0.9732 0.6480 0.052 Uiso 1 1 calc R U
C13 C 0.2809(5) 1.0211(4) 0.7948(3) 0.0479(10) Uani 1 1 d . .
H13A H 0.2280 1.0307 0.8547 0.072 Uiso 1 1 calc R U
H13B H 0.2901 1.1100 0.7823 0.072 Uiso 1 1 calc R U
H13C H 0.3715 0.9933 0.8064 0.072 Uiso 1 1 calc R U
C14 C 0.1258(3) 0.9568(3) 0.4051(2) 0.0292(7) Uani 1 1 d . .
H14A H 0.0589 0.9299 0.4472 0.044 Uiso 1 1 calc R U
H14B H 0.0784 0.9769 0.3495 0.044 Uiso 1 1 calc R U
H14C H 0.1822 1.0396 0.4466 0.044 Uiso 1 1 calc R U
C15 C 0.2353(3) 0.9079(3) 0.2045(2) 0.0244(6) Uani 1 1 d . .
C16 C 0.1684(3) 0.8554(3) 0.1093(2) 0.0289(7) Uani 1 1 d . .
H16 H 0.1381 0.7598 0.0828 0.035 Uiso 1 1 calc R U
C17 C 0.1455(3) 0.9410(4) 0.0527(2) 0.0339(7) Uani 1 1 d . .
H17 H 0.0989 0.9040 -0.0120 0.041 Uiso 1 1 calc R U
C18 C 0.1899(3) 1.0795(4) 0.0895(3) 0.0339(7) Uani 1 1 d . .
H18 H 0.1745 1.1378 0.0502 0.041 Uiso 1 1 calc R U
C19 C 0.2570(3) 1.1333(3) 0.1842(3) 0.0341(7) Uani 1 1 d . .
H19 H 0.2883 1.2287 0.2098 0.041 Uiso 1 1 calc R U
C20 C 0.2785(3) 1.0483(3) 0.2413(2) 0.0299(7) Uani 1 1 d . .
H20 H 0.3233 1.0863 0.3067 0.036 Uiso 1 1 calc R U
C21 C 0.4372(3) 0.4747(3) 0.1907(2) 0.0238(6) Uani 1 1 d . .
C22 C 0.3997(3) 0.4148(3) 0.0876(2) 0.0292(7) Uani 1 1 d . .
H22 H 0.3329 0.4541 0.0576 0.035 Uiso 1 1 calc R U
C23 C 0.4591(4) 0.2987(3) 0.0288(2) 0.0354(7) Uani 1 1 d . .
H23 H 0.4319 0.2580 -0.0410 0.043 Uiso 1 1 calc R U
C24 C 0.5575(4) 0.2419(3) 0.0712(3) 0.0390(8) Uani 1 1 d . .
H24 H 0.5983 0.1624 0.0306 0.047 Uiso 1 1 calc R U
C25 C 0.5967(3) 0.3009(3) 0.1727(3) 0.0368(8) Uani 1 1 d . .
H25 H 0.6644 0.2615 0.2018 0.044 Uiso 1 1 calc R U
C26 C 0.5380(3) 0.4171(3) 0.2322(2) 0.0294(6) Uani 1 1 d . .
H26 H 0.5666 0.4579 0.3018 0.035 Uiso 1 1 calc R U
O1 O 0.8664(5) 0.4899(5) 0.0737(3) 0.0973(13) Uani 1 1 d . .
C27 C 0.8209(6) 0.6141(6) 0.1305(4) 0.0757(15) Uani 1 1 d . .
H27A H 0.7204 0.6045 0.1323 0.091 Uiso 1 1 calc R U
H27B H 0.8456 0.6856 0.0991 0.091 Uiso 1 1 calc R U
C28 C 0.8803(6) 0.6558(6) 0.2309(4) 0.0734(14) Uani 1 1 d . .
H28A H 0.8101 0.6881 0.2807 0.088 Uiso 1 1 calc R U
H28B H 0.9517 0.7326 0.2411 0.088 Uiso 1 1 calc R U
C29 C 0.9393(7) 0.5361(6) 0.2442(4) 0.0874(19) Uani 1 1 d . .
H29A H 0.8775 0.4889 0.2795 0.105 Uiso 1 1 calc R U
H29B H 1.0282 0.5630 0.2829 0.105 Uiso 1 1 calc R U
C30 C 0.9559(7) 0.4449(6) 0.1357(5) 0.0908(18) Uani 1 1 d . .
H30A H 1.0512 0.4550 0.1168 0.109 Uiso 1 1 calc R U
H30B H 0.9319 0.3463 0.1277 0.109 Uiso 1 1 calc R U
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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
P P 0.1023 0.0942 '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_3
P1 Au1 Cl1 174.82(3) .
P1 Au1 Au1 98.29(2) 2_666
Cl1 Au1 Au1 86.79(2) 2_666
C1 P1 C5 107.26(14) .
C1 P1 Au1 123.67(10) .
C5 P1 Au1 128.20(10) .
C2 C1 C6 122.1(2) .
C2 C1 P1 122.2(2) .
C6 C1 P1 115.7(2) .
C1 C2 C3 122.3(3) .
C1 C2 C14 117.8(2) .
C3 C2 C14 119.9(3) .
C4 C3 C2 122.5(3) .
C4 C3 C15 116.6(2) .
C2 C3 C15 121.0(2) .
C5 C4 C3 127.7(3) .
C5 C4 H4 116.1 .
C3 C4 H4 116.1 .
C4 C5 C21 122.0(2) .
C4 C5 P1 118.0(2) .
C21 C5 P1 120.0(2) .
C11 C6 C7 120.8(3) .
C11 C6 C1 119.1(3) .
C7 C6 C1 120.0(3) .
C6 C7 C8 118.9(3) .
C6 C7 C12 120.8(3) .
C8 C7 C12 120.3(3) .
C9 C8 C7 119.0(3) .
C9 C8 C13 120.5(3) .
C7 C8 C13 120.5(3) .
C10 C9 C8 121.9(3) .
C10 C9 H9 119.1 .
C8 C9 H9 119.1 .
C9 C10 C11 120.1(3) .
C9 C10 H10 120.0 .
C11 C10 H10 120.0 .
C10 C11 C6 119.3(3) .
C10 C11 H11 120.3 .
C6 C11 H11 120.3 .
C7 C12 H12A 109.5 .
C7 C12 H12B 109.5 .
H12A C12 H12B 109.5 .
C7 C12 H12C 109.5 .
H12A C12 H12C 109.5 .
H12B C12 H12C 109.5 .
C8 C13 H13A 109.5 .
C8 C13 H13B 109.5 .
H13A C13 H13B 109.5 .
C8 C13 H13C 109.5 .
H13A C13 H13C 109.5 .
H13B C13 H13C 109.5 .
C2 C14 H14A 109.5 .
C2 C14 H14B 109.5 .
H14A C14 H14B 109.5 .
C2 C14 H14C 109.5 .
H14A C14 H14C 109.5 .
H14B C14 H14C 109.5 .
C16 C15 C20 118.4(3) .
C16 C15 C3 120.1(3) .
C20 C15 C3 121.4(3) .
C17 C16 C15 120.6(3) .
C17 C16 H16 119.7 .
C15 C16 H16 119.7 .
C18 C17 C16 120.5(3) .
C18 C17 H17 119.8 .
C16 C17 H17 119.8 .
C17 C18 C19 119.6(3) .
C17 C18 H18 120.2 .
C19 C18 H18 120.2 .
C20 C19 C18 120.1(3) .
C20 C19 H19 120.0 .
C18 C19 H19 120.0 .
C19 C20 C15 120.8(3) .
C19 C20 H20 119.6 .
C15 C20 H20 119.6 .
C26 C21 C22 118.5(3) .
C26 C21 C5 122.0(3) .
C22 C21 C5 119.5(3) .
C23 C22 C21 120.6(3) .
C23 C22 H22 119.7 .
C21 C22 H22 119.7 .
C24 C23 C22 120.2(3) .
C24 C23 H23 119.9 .
C22 C23 H23 119.9 .
C23 C24 C25 119.9(3) .
C23 C24 H24 120.1 .
C25 C24 H24 120.1 .
C24 C25 C26 120.4(3) .
C24 C25 H25 119.8 .
C26 C25 H25 119.8 .
C25 C26 C21 120.4(3) .
C25 C26 H26 119.8 .
C21 C26 H26 119.8 .
C27 O1 C30 109.0(4) .
O1 C27 C28 110.0(4) .
O1 C27 H27A 109.7 .
C28 C27 H27A 109.7 .
O1 C27 H27B 109.7 .
C28 C27 H27B 109.7 .
H27A C27 H27B 108.2 .
C27 C28 C29 107.4(4) .
C27 C28 H28A 110.2 .
C29 C28 H28A 110.2 .
C27 C28 H28B 110.2 .
C29 C28 H28B 110.2 .
H28A C28 H28B 108.5 .
C28 C29 C30 102.6(4) .
C28 C29 H29A 111.2 .
C30 C29 H29A 111.2 .
C28 C29 H29B 111.2 .
C30 C29 H29B 111.2 .
H29A C29 H29B 109.2 .
O1 C30 C29 106.4(5) .
O1 C30 H30A 110.5 .
C29 C30 H30A 110.5 .
O1 C30 H30B 110.5 .
C29 C30 H30B 110.5 .
H30A C30 H30B 108.6 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 P1 2.2040(7) .
Au1 Cl1 2.2674(8) .
Au1 Au1 3.2960(2) 2_666
P1 C1 1.715(3) .
P1 C5 1.721(3) .
C1 C2 1.391(4) .
C1 C6 1.504(4) .
C2 C3 1.412(4) .
C2 C14 1.508(4) .
C3 C4 1.399(4) .
C3 C15 1.489(4) .
C4 C5 1.379(4) .
C4 H4 0.9500 .
C5 C21 1.477(4) .
C6 C11 1.395(4) .
C6 C7 1.396(4) .
C7 C8 1.409(4) .
C7 C12 1.491(5) .
C8 C9 1.383(5) .
C8 C13 1.505(5) .
C9 C10 1.368(5) .
C9 H9 0.9500 .
C10 C11 1.387(4) .
C10 H10 0.9500 .
C11 H11 0.9500 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 C16 1.388(4) .
C15 C20 1.391(4) .
C16 C17 1.384(4) .
C16 H16 0.9500 .
C17 C18 1.376(5) .
C17 H17 0.9500 .
C18 C19 1.384(5) .
C18 H18 0.9500 .
C19 C20 1.382(4) .
C19 H19 0.9500 .
C20 H20 0.9500 .
C21 C26 1.393(4) .
C21 C22 1.396(4) .
C22 C23 1.383(4) .
C22 H22 0.9500 .
C23 C24 1.377(5) .
C23 H23 0.9500 .
C24 C25 1.380(5) .
C24 H24 0.9500 .
C25 C26 1.384(4) .
C25 H25 0.9500 .
C26 H26 0.9500 .
O1 C27 1.373(6) .
O1 C30 1.418(7) .
C27 C28 1.422(6) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C28 C29 1.453(8) .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C29 C30 1.519(8) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
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
C5 P1 C1 C2 0.6(3)
Au1 P1 C1 C2 -169.5(2)
C5 P1 C1 C6 177.8(2)
Au1 P1 C1 C6 7.8(3)
C6 C1 C2 C3 179.8(3)
P1 C1 C2 C3 -3.1(4)
C6 C1 C2 C14 -3.8(4)
P1 C1 C2 C14 173.3(2)
C1 C2 C3 C4 3.3(5)
C14 C2 C3 C4 -173.1(3)
C1 C2 C3 C15 -178.5(3)
C14 C2 C3 C15 5.2(4)
C2 C3 C4 C5 -0.4(5)
C15 C3 C4 C5 -178.7(3)
C3 C4 C5 C21 176.4(3)
C3 C4 C5 P1 -2.2(4)
C1 P1 C5 C4 1.9(3)
Au1 P1 C5 C4 171.39(18)
C1 P1 C5 C21 -176.7(2)
Au1 P1 C5 C21 -7.2(3)
C2 C1 C6 C11 99.7(4)
P1 C1 C6 C11 -77.6(3)
C2 C1 C6 C7 -79.4(4)
P1 C1 C6 C7 103.3(3)
C11 C6 C7 C8 -0.8(4)
C1 C6 C7 C8 178.3(3)
C11 C6 C7 C12 178.8(3)
C1 C6 C7 C12 -2.1(4)
C6 C7 C8 C9 -0.5(4)
C12 C7 C8 C9 179.9(3)
C6 C7 C8 C13 179.7(3)
C12 C7 C8 C13 0.1(4)
C7 C8 C9 C10 1.1(5)
C13 C8 C9 C10 -179.1(3)
C8 C9 C10 C11 -0.5(5)
C9 C10 C11 C6 -0.8(5)
C7 C6 C11 C10 1.4(5)
C1 C6 C11 C10 -177.7(3)
C4 C3 C15 C16 55.0(4)
C2 C3 C15 C16 -123.3(3)
C4 C3 C15 C20 -123.3(3)
C2 C3 C15 C20 58.3(4)
C20 C15 C16 C17 0.0(4)
C3 C15 C16 C17 -178.4(3)
C15 C16 C17 C18 0.6(5)
C16 C17 C18 C19 -0.5(5)
C17 C18 C19 C20 -0.3(5)
C18 C19 C20 C15 1.0(5)
C16 C15 C20 C19 -0.8(5)
C3 C15 C20 C19 177.6(3)
C4 C5 C21 C26 142.3(3)
P1 C5 C21 C26 -39.1(4)
C4 C5 C21 C22 -38.2(4)
P1 C5 C21 C22 140.4(3)
C26 C21 C22 C23 1.7(5)
C5 C21 C22 C23 -177.9(3)
C21 C22 C23 C24 -0.9(5)
C22 C23 C24 C25 0.2(5)
C23 C24 C25 C26 -0.2(5)
C24 C25 C26 C21 1.0(5)
C22 C21 C26 C25 -1.7(5)
C5 C21 C26 C25 177.8(3)
C30 O1 C27 C28 0.8(7)
O1 C27 C28 C29 -14.4(7)
C27 C28 C29 C30 20.7(7)
C27 O1 C30 C29 12.4(7)
C28 C29 C30 O1 -20.2(7)
