Stereoselective total synthesis of (±)-vindeburnol and (±)-16-<i>epi</i>-vindeburnol.
Chen, Xiangtao; Yu, Lei; Wang, Huijing; Zhang, Wen; Tang, Pei; Chen, Fener; Chemical communications (Cambridge, England) 57 (2021) 11669–11672; doi:10.1039/d1cc04980a

data_7129098
_publ_section_title
;
 Stereoselective total synthesis of (+-)-vindeburnol and
 (+-)-16-<i>epi</i>-vindeburnol.
;
_journal_issue                   88
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              11669
_journal_page_last               11672
_journal_paper_doi               10.1039/d1cc04980a
_journal_volume                  57
_journal_year                    2021
_chemical_formula_sum            'C17 H20 N2 O2'
_chemical_formula_weight         284.35
_space_group_crystal_system      monoclinic
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_audit_update_record
;
2021-08-13 deposited with the CCDC.	2021-10-06 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 104.117(2)
_cell_angle_gamma                90
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_cell_length_a                   6.52889(15)
_cell_length_b                   26.9565(6)
_cell_length_c                   9.50589(19)
_cell_measurement_temperature    293(2)
_cell_volume                     1622.47(6)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.984
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_unetI/netI     0.0400
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_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_number            3096
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.363
_diffrn_reflns_theta_min         5.070
_exptl_absorpt_coefficient_mu    0.615
_exptl_crystal_density_diffrn    1.164
_exptl_crystal_F_000             608
_refine_diff_density_max         0.240
_refine_diff_density_min         -0.257
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     195
_refine_ls_number_reflns         3096
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0585
_refine_ls_R_factor_gt           0.0533
_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/[\s^2^(Fo^2^)+(0.1005P)^2^+0.0377P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1467
_refine_ls_wR_factor_ref         0.1525
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2640
_reflns_number_total             3096
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1cc04980a2.cif
_cod_data_source_block           cfe-cxt-200424b-b-150k
_cod_depositor_comments
'Adding full bibliography for 7129096--7129098.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7129098
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              1674
_shelx_hkl_checksum              25795