H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.
Chang, Meng-Yang; Hsiao, Yu-Ting; The Journal of organic chemistry 82 (2017) 11594–11602; doi:10.1021/acs.joc.7b02291

data_4032925
_publ_section_title
;
 H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and
 4-Alkenols: One-Pot Synthesis of Tetanthrenes.
;
_journal_issue                   21
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              11594
_journal_page_last               11602
_journal_paper_doi               10.1021/acs.joc.7b02291
_journal_volume                  82
_journal_year                    2017
_chemical_absolute_configuration rm
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_chemical_formula_weight         518.64
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_space_group_name_Hall           'P 2c -2ac'
_space_group_name_H-M_alt        'P c a 21'
_symmetry_space_group_name_Hall  'P 2c -2ac'
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_cell_angle_beta                 90
_cell_angle_gamma                90
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_cell_length_a                   11.4491(5)
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_cell_measurement_theta_max      24.9982
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_computing_publication_material  'Bruker SHELXTL'
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_diffrn_ambient_temperature      296(2)
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_radiation_type           MoK\a
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.256
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Lump
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_exptl_crystal_size_max          0.18
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;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.16(12)
_refine_ls_extinction_method     none
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_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.1093
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1025P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1510
_refine_ls_wR_factor_ref         0.1854
_reflns_Friedel_coverage         0.954
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.998
_reflns_number_gt                6967
_reflns_number_total             11026
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            jo7b02291_si_001.cif
_cod_data_source_block           170329LT_0m_a_4g-1_CCDC_1556734
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_absolute_configuration' value 'RM' changed to 'rm'
according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 4032923--4032931.cif.
;
_cod_database_code               4032925
_shelxl_version_number           2014/6
_shelx_res_checksum              73925
_shelx_hkl_checksum              17449