#------------------------------------------------------------------------------
#$Date: 2021-10-15 23:57:35 +0200 (Fri 15 de Oct de 2021) $
#$Revision: 269971 $
#$URL: svn://www.crystallography.net/cod/cif/7/12/91/7129119.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_7129119
loop_
_publ_author_name
'Alberca, Saul'
'Matador, Esteban'
'Iglesias-Sigüenza, Javier'
'Retamosa, Maria de Gracia'
'Fernández, Rosario'
'Lassaletta, Jose M.'
'Monge, David'
_publ_section_title
;
 Asymmetric cross-aldol reaction of α-keto hydrazones and
 α,β-unsaturated γ-keto hydrazones with trifluoromethyl ketones
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D1CC05014A
_journal_year                    2021
_chemical_absolute_configuration ad
_chemical_formula_sum            'C25 H21 F3 N2 O2'
_chemical_formula_weight         438.44
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2021-07-21 deposited with the CCDC.	2021-10-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.9055(9)
_cell_length_b                   9.4810(9)
_cell_length_c                   25.620(3)
_cell_measurement_reflns_used    9909
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      65.90
_cell_measurement_theta_min      4.97
_cell_volume                     2163.2(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0256
_diffrn_reflns_av_unetI/netI     0.0174
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            24796
_diffrn_reflns_point_group_measured_fraction_full 0.977
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        66.012
_diffrn_reflns_theta_max         66.012
_diffrn_reflns_theta_min         4.974
_exptl_absorpt_coefficient_mu    0.871
_exptl_absorpt_correction_T_max  0.7527
_exptl_absorpt_correction_T_min  0.6601
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 SADABS, Bruker (2006). APEX 2. Version 2.1. Bruker Analytical 
 X-ray Solutions, Madison, Wisconsin, USA. 
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.346
_exptl_crystal_description       Prism
_exptl_crystal_F_000             912
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.212
_refine_diff_density_min         -0.264
_refine_diff_density_rms         0.061
_refine_ls_abs_structure_details
; 
 Flack x determined using 1533 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   0.006(18)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.963
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     290
_refine_ls_number_reflns         3691
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.963
_refine_ls_R_factor_all          0.0280
_refine_ls_R_factor_gt           0.0259
_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)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0917
_refine_ls_wR_factor_ref         0.0955
_reflns_Friedel_coverage         0.717
_reflns_Friedel_fraction_full    0.966
_reflns_Friedel_fraction_max     0.966
_reflns_number_gt                3678
_reflns_number_total             3691
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1cc05014a2.cif
_cod_data_source_block           igl0521a
_cod_database_code               7129119
_shelx_shelxl_version_number     2018/1
_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_min   0.780
_shelx_estimated_absorpt_t_max   0.918
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -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
F1 F 0.05011(13) -0.08252(13) 0.23932(4) 0.0298(3) Uani 1 1 d . . . . .
F2 F 0.09822(13) 0.12682(11) 0.21119(4) 0.0257(3) Uani 1 1 d . . . . .
F3 F -0.03223(12) -0.01706(12) 0.16428(4) 0.0277(3) Uani 1 1 d . . . . .
N1 N 0.72514(16) -0.00048(15) 0.35966(6) 0.0152(3) Uani 1 1 d . . . . .
N2 N 0.83476(15) -0.00165(14) 0.39564(5) 0.0151(3) Uani 1 1 d . . . . .
O1 O 0.50742(14) -0.19140(13) 0.15508(5) 0.0216(3) Uani 1 1 d . . . . .
O2 O 0.19615(14) -0.20519(12) 0.16017(5) 0.0211(3) Uani 1 1 d . . . . .
H2 H 0.271667 -0.245618 0.149611 0.032 Uiso 1 1 calc R U . . .
C1 C 0.75230(19) -0.04766(16) 0.31305(7) 0.0169(4) Uani 1 1 d . . . . .
H1 H 0.847304 -0.078859 0.303356 0.020 Uiso 1 1 calc R U . . .
C2 C 0.62873(19) -0.04930(17) 0.27728(6) 0.0168(3) Uani 1 1 d . . . . .
H2A H 0.540176 -0.005567 0.287684 0.020 Uiso 1 1 calc R U . . .
C3 C 0.6314(2) -0.10964(18) 0.22959(7) 0.0181(4) Uani 1 1 d . . . . .
H3 H 0.722324 -0.145647 0.217714 0.022 Uiso 1 1 calc R U . . .
C4 C 0.5011(2) -0.12210(17) 0.19545(7) 0.0176(4) Uani 1 1 d . . . . .
C5 C 0.35521(19) -0.05261(17) 0.21226(6) 0.0169(3) Uani 1 1 d . . . . .
H5A H 0.374427 0.045978 0.219851 0.020 Uiso 1 1 calc R U . . .
H5B H 0.320459 -0.096923 0.244175 0.020 Uiso 1 1 calc R U . . .
C6 C 0.23070(18) -0.06241(17) 0.17100(6) 0.0168(4) Uani 1 1 d . . . . .
C7 C 0.0856(2) -0.00863(19) 0.19658(7) 0.0209(4) Uani 1 1 d . . . . .
C8 C 0.26058(18) 0.02253(16) 0.12114(6) 0.0155(3) Uani 1 1 d . . . . .
C9 C 0.3483(2) 0.14438(17) 0.12044(6) 0.0191(3) Uani 1 1 d . . . . .
H9 H 0.395797 0.174274 0.150807 0.023 Uiso 1 1 calc R U . . .
C10 C 0.3651(2) 0.22128(19) 0.07476(7) 0.0231(4) Uani 1 1 d . . . . .
H10 H 0.424444 0.301959 0.074650 0.028 Uiso 1 1 calc R U . . .
C11 C 0.2941(2) 0.17883(18) 0.02932(7) 0.0245(4) Uani 1 1 d . . . . .
H11 H 0.303822 0.231941 -0.001015 0.029 Uiso 1 1 calc R U . . .
C12 C 0.2086(2) 0.0572(2) 0.02925(7) 0.0252(4) Uani 1 1 d . . . . .
H12 H 0.162460 0.027430 -0.001390 0.030 Uiso 1 1 calc R U . . .
C13 C 0.19129(19) -0.02107(18) 0.07484(7) 0.0208(4) Uani 1 1 d . . . . .
H13 H 0.133397 -0.102708 0.074522 0.025 Uiso 1 1 calc R U . . .
C14 C 0.98793(19) -0.04181(17) 0.38352(6) 0.0156(3) Uani 1 1 d . . . . .
C15 C 1.0868(2) 0.06305(19) 0.36875(7) 0.0194(4) Uani 1 1 d . . . . .
H15 H 1.053853 0.155527 0.364797 0.023 Uiso 1 1 calc R U . . .
C16 C 1.2357(2) 0.02832(19) 0.35991(7) 0.0231(4) Uani 1 1 d . . . . .
H16 H 1.304258 0.097890 0.350564 0.028 Uiso 1 1 calc R U . . .
C17 C 1.2825(2) -0.11122(19) 0.36509(7) 0.0225(4) Uani 1 1 d . . . . .
H17 H 1.382505 -0.134397 0.359199 0.027 Uiso 1 1 calc R U . . .
C18 C 1.1812(2) -0.21594(18) 0.37895(7) 0.0220(4) Uani 1 1 d . . . . .
H18 H 1.212912 -0.309058 0.381877 0.026 Uiso 1 1 calc R U . . .
C19 C 1.03227(19) -0.18109(18) 0.38842(7) 0.0191(4) Uani 1 1 d . . . . .
H19 H 0.963400 -0.250227 0.397910 0.023 Uiso 1 1 calc R U . . .
C20 C 0.79780(19) 0.04754(16) 0.44627(6) 0.0149(3) Uani 1 1 d . . . . .
C21 C 0.8987(2) 0.02328(18) 0.48731(7) 0.0210(4) Uani 1 1 d . . . . .
H21 H 0.988725 -0.023379 0.480932 0.025 Uiso 1 1 calc R U . . .
C22 C 0.8647(2) 0.0687(2) 0.53740(7) 0.0244(4) Uani 1 1 d . . . . .
H22 H 0.931890 0.052155 0.564498 0.029 Uiso 1 1 calc R U . . .
C23 C 0.7316(2) 0.13828(18) 0.54721(7) 0.0259(4) Uani 1 1 d . . . . .
H23 H 0.709187 0.169087 0.580786 0.031 Uiso 1 1 calc R U . . .
C24 C 0.6314(2) 0.16202(19) 0.50676(7) 0.0257(4) Uani 1 1 d . . . . .
H24 H 0.541655 0.208860 0.513453 0.031 Uiso 1 1 calc R U . . .
C25 C 0.6630(2) 0.11687(17) 0.45633(7) 0.0198(4) Uani 1 1 d . . . . .
H25 H 0.594668 0.132827 0.429519 0.024 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 0.0181 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'
F F 0.0727 0.0534 '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
C1 N1 N2 119.55(15) . . ?
N1 N2 C20 117.18(13) . . ?
N1 N2 C14 122.63(13) . . ?
C20 N2 C14 120.06(13) . . ?
C6 O2 H2 109.5 . . ?
N1 C1 C2 116.69(15) . . ?
N1 C1 H1 121.7 . . ?
C2 C1 H1 121.7 . . ?
C3 C2 C1 124.78(15) . . ?
C3 C2 H2A 117.6 . . ?
C1 C2 H2A 117.6 . . ?
C2 C3 C4 124.30(16) . . ?
C2 C3 H3 117.9 . . ?
C4 C3 H3 117.9 . . ?
O1 C4 C3 120.82(15) . . ?
O1 C4 C5 120.72(15) . . ?
C3 C4 C5 118.40(14) . . ?
C4 C5 C6 113.35(13) . . ?
C4 C5 H5A 108.9 . . ?
C6 C5 H5A 108.9 . . ?
C4 C5 H5B 108.9 . . ?
C6 C5 H5B 108.9 . . ?
H5A C5 H5B 107.7 . . ?
O2 C6 C8 112.13(13) . . ?
O2 C6 C5 110.48(13) . . ?
C8 C6 C5 114.62(14) . . ?
O2 C6 C7 102.61(13) . . ?
C8 C6 C7 109.09(13) . . ?
C5 C6 C7 107.08(13) . . ?
F1 C7 F3 106.81(14) . . ?
F1 C7 F2 107.00(14) . . ?
F3 C7 F2 107.16(14) . . ?
F1 C7 C6 111.98(14) . . ?
F3 C7 C6 112.08(14) . . ?
F2 C7 C6 111.49(15) . . ?
C9 C8 C13 118.73(15) . . ?
C9 C8 C6 122.89(14) . . ?
C13 C8 C6 118.32(14) . . ?
C10 C9 C8 120.45(16) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
C11 C10 C9 120.50(16) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C12 C11 C10 119.67(16) . . ?
C12 C11 H11 120.2 . . ?
C10 C11 H11 120.2 . . ?
C11 C12 C13 120.33(16) . . ?
C11 C12 H12 119.8 . . ?
C13 C12 H12 119.8 . . ?
C12 C13 C8 120.31(15) . . ?
C12 C13 H13 119.8 . . ?
C8 C13 H13 119.8 . . ?
C15 C14 C19 122.01(16) . . ?
C15 C14 N2 117.99(15) . . ?
C19 C14 N2 119.97(15) . . ?
C14 C15 C16 118.95(16) . . ?
C14 C15 H15 120.5 . . ?
C16 C15 H15 120.5 . . ?
C15 C16 C17 119.74(17) . . ?
C15 C16 H16 120.1 . . ?
C17 C16 H16 120.1 . . ?
C18 C17 C16 120.64(17) . . ?
C18 C17 H17 119.7 . . ?
C16 C17 H17 119.7 . . ?
C17 C18 C19 119.70(16) . . ?
C17 C18 H18 120.2 . . ?
C19 C18 H18 120.2 . . ?
C14 C19 C18 118.94(16) . . ?
C14 C19 H19 120.5 . . ?
C18 C19 H19 120.5 . . ?
C25 C20 C21 119.42(16) . . ?
C25 C20 N2 121.66(15) . . ?
C21 C20 N2 118.91(15) . . ?
C22 C21 C20 120.18(16) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C23 C22 C21 120.32(17) . . ?
C23 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
C22 C23 C24 119.64(16) . . ?
C22 C23 H23 120.2 . . ?
C24 C23 H23 120.2 . . ?
C23 C24 C25 120.98(16) . . ?
C23 C24 H24 119.5 . . ?
C25 C24 H24 119.5 . . ?
C24 C25 C20 119.47(16) . . ?
C24 C25 H25 120.3 . . ?
C20 C25 H25 120.3 . . ?
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
F1 C7 1.338(2) . ?
F2 C7 1.342(2) . ?
F3 C7 1.339(2) . ?
N1 C1 1.298(2) . ?
N1 N2 1.343(2) . ?
N2 C20 1.417(2) . ?
N2 C14 1.450(2) . ?
O1 C4 1.227(2) . ?
O2 C6 1.416(2) . ?
O2 H2 0.8200 . ?
C1 C2 1.432(2) . ?
C1 H1 0.9300 . ?
C2 C3 1.349(2) . ?
C2 H2A 0.9300 . ?
C3 C4 1.458(2) . ?
C3 H3 0.9300 . ?
C4 C5 1.519(2) . ?
C5 C6 1.535(2) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 C8 1.533(2) . ?
C6 C7 1.536(2) . ?
C8 C9 1.395(2) . ?
C8 C13 1.400(2) . ?
C9 C10 1.387(2) . ?
C9 H9 0.9300 . ?
C10 C11 1.385(3) . ?
C10 H10 0.9300 . ?
C11 C12 1.382(3) . ?
C11 H11 0.9300 . ?
C12 C13 1.392(3) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 C15 1.381(3) . ?
C14 C19 1.384(2) . ?
C15 C16 1.386(3) . ?
C15 H15 0.9300 . ?
C16 C17 1.393(3) . ?
C16 H16 0.9300 . ?
C17 C18 1.388(3) . ?
C17 H17 0.9300 . ?
C18 C19 1.388(3) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C20 C25 1.393(2) . ?
C20 C21 1.402(2) . ?
C21 C22 1.387(3) . ?
C21 H21 0.9300 . ?
C22 C23 1.380(3) . ?
C22 H22 0.9300 . ?
C23 C24 1.386(3) . ?
C23 H23 0.9300 . ?
C24 C25 1.390(3) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C1 H1 F1 0.93 2.44 3.273(2) 149.0 1_655 yes
O2 H2 O1 0.82 2.17 2.7782(18) 131.5 . yes
O2 H2 N1 0.82 2.43 2.9304(18) 120.5 3_645 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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 N1 N2 C20 -178.34(14) . . . . ?
C1 N1 N2 C14 5.8(2) . . . . ?
N2 N1 C1 C2 177.27(14) . . . . ?
N1 C1 C2 C3 -171.77(15) . . . . ?
C1 C2 C3 C4 174.09(16) . . . . ?
C2 C3 C4 O1 -172.09(16) . . . . ?
C2 C3 C4 C5 5.2(2) . . . . ?
O1 C4 C5 C6 -7.6(2) . . . . ?
C3 C4 C5 C6 175.07(14) . . . . ?
C4 C5 C6 O2 60.53(18) . . . . ?
C4 C5 C6 C8 -67.31(18) . . . . ?
C4 C5 C6 C7 171.54(13) . . . . ?
O2 C6 C7 F1 58.45(17) . . . . ?
C8 C6 C7 F1 177.53(14) . . . . ?
C5 C6 C7 F1 -57.89(18) . . . . ?
O2 C6 C7 F3 -61.57(17) . . . . ?
C8 C6 C7 F3 57.51(18) . . . . ?
C5 C6 C7 F3 -177.91(13) . . . . ?
O2 C6 C7 F2 178.31(13) . . . . ?
C8 C6 C7 F2 -62.61(17) . . . . ?
C5 C6 C7 F2 61.97(18) . . . . ?
O2 C6 C8 C9 -155.32(15) . . . . ?
C5 C6 C8 C9 -28.3(2) . . . . ?
C7 C6 C8 C9 91.72(18) . . . . ?
O2 C6 C8 C13 27.5(2) . . . . ?
C5 C6 C8 C13 154.54(14) . . . . ?
C7 C6 C8 C13 -85.43(18) . . . . ?
C13 C8 C9 C10 0.6(2) . . . . ?
C6 C8 C9 C10 -176.55(16) . . . . ?
C8 C9 C10 C11 0.5(3) . . . . ?
C9 C10 C11 C12 -1.5(3) . . . . ?
C10 C11 C12 C13 1.3(3) . . . . ?
C11 C12 C13 C8 -0.2(3) . . . . ?
C9 C8 C13 C12 -0.8(2) . . . . ?
C6 C8 C13 C12 176.51(15) . . . . ?
N1 N2 C14 C15 91.25(18) . . . . ?
C20 N2 C14 C15 -84.51(19) . . . . ?
N1 N2 C14 C19 -90.6(2) . . . . ?
C20 N2 C14 C19 93.59(18) . . . . ?
C19 C14 C15 C16 -1.7(3) . . . . ?
N2 C14 C15 C16 176.32(16) . . . . ?
C14 C15 C16 C17 1.2(3) . . . . ?
C15 C16 C17 C18 0.1(3) . . . . ?
C16 C17 C18 C19 -0.9(3) . . . . ?
C15 C14 C19 C18 1.0(3) . . . . ?
N2 C14 C19 C18 -177.04(15) . . . . ?
C17 C18 C19 C14 0.3(3) . . . . ?
N1 N2 C20 C25 -11.0(2) . . . . ?
C14 N2 C20 C25 165.02(15) . . . . ?
N1 N2 C20 C21 167.87(14) . . . . ?
C14 N2 C20 C21 -16.1(2) . . . . ?
C25 C20 C21 C22 -0.3(2) . . . . ?
N2 C20 C21 C22 -179.20(15) . . . . ?
C20 C21 C22 C23 -0.1(3) . . . . ?
C21 C22 C23 C24 0.3(3) . . . . ?
C22 C23 C24 C25 -0.1(3) . . . . ?
C23 C24 C25 C20 -0.4(3) . . . . ?
C21 C20 C25 C24 0.6(2) . . . . ?
N2 C20 C25 C24 179.44(16) . . . . ?
