LMucko/crystallography-open-database huggingface dataset:
Synthesis of Ellipticine: A Radical Cascade Protocol to Aryl- and Heteroaryl-Annulated[b]carbazoles
Jan M. Pedersen; W. Russell Bowman; Mark R. J. Elsegood; Anthony J. Fletcher; Peter J. Lovell; Journal of Organic Chemistry 70 (2005) 10615–10618; doi:10.1021/jo0519920

data_4020762
_publ_section_title
;
 Synthesis of Ellipticine: A Radical Cascade Protocol
 to Aryl- and Heteroaryl-Annulated[b]carbazoles
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              10615
_journal_page_last               10618
_journal_paper_doi               10.1021/jo0519920
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C23 H20 N2 Se'
_chemical_formula_weight         403.37
_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'
_cell_angle_alpha                90.00
_cell_angle_beta                 105.705(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   22.0841(7)
_cell_length_b                   10.4436(3)
_cell_length_c                   17.3447(5)
_cell_measurement_temperature    150(2)
_cell_volume                     3851.0(2)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.391
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4020762
Arene-Chromium Tricarbonyl Complexes in the Pauson-Khand Reaction
Marta Rosillo; Gema Domínguez; Luis Casarrubios; Javier Pérez-Castells; Journal of Organic Chemistry 70 (2005) 10611–10614; doi:10.1021/jo0519965

data_4020763
_publ_section_title
;
 Arene-Chromium Tricarbonyl Complexes in the
 Pauson-Khand Reaction
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              10611
_journal_page_last               10614
_journal_paper_doi               10.1021/jo0519965
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C20 H10 Co2 Cr O11'
_chemical_formula_weight         596.15
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                98.044(10)
_cell_angle_beta                 101.570(10)
_cell_angle_gamma                98.183(10)
_cell_formula_units_Z            2
_cell_length_a                   7.1979(10)
_cell_length_b                   9.1954(10)
_cell_length_c                   17.7887(10)
_cell_measurement_temperature    298(2)
_cell_volume                     1124.4(2)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.760
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4020763
Colorimetric "Naked Eye" Sensing of Anions in Aqueous Solution
Thorfinnur Gunnlaugsson; Paul E. Kruger; Paul Jensen; Juliann Tierney; Haslin Dato Paduka Ali; Gillian M. Hussey; Journal of Organic Chemistry 70 (2005) 10875–10878; doi:10.1021/jo0520487

data_4020764
_publ_section_title
;
 Colorimetric "Naked Eye" Sensing of Anions in Aqueous Solution
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              10875
_journal_page_last               10878
_journal_paper_doi               10.1021/jo0520487
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         (C22H17N4O2SF3).3.375EtOH
_chemical_formula_sum            'C28.75 H37.25 F3 N4 O5.38 S'
_chemical_formula_weight         613.94
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 98.553(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.360(2)
_cell_length_b                   28.872(3)
_cell_length_c                   8.9280(10)
_cell_measurement_temperature    153(2)
_cell_volume                     5954.5(10)
_diffrn_ambient_temperature      153(2)
_exptl_crystal_density_diffrn    1.370
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4020764
Conversion of Phenyl-Substituted Cyclopentadienes to Pyrylium Cations
Gui Ling Ning; Xin Cheng Li; Megumu Munakata; Wei Tao Gong; Masahiko Maekawa; Tadao Kamikawa; Journal of Organic Chemistry 69 (2004) 1432–1434; doi:10.1021/jo030243k

data_4020765
_publ_section_title
;
 Conversion of Phenyl-Substituted Cyclopentadienes to Pyrylium Cations
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              1432
_journal_page_last               1434
_journal_paper_doi               10.1021/jo030243k
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C71 H52 Cl4 O10'
_chemical_formula_weight         1207.00
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.948(2)
_cell_length_b                   17.7599(4)
_cell_length_c                   28.2209(3)
_cell_measurement_temperature    273.2
_cell_volume                     6489.7(5)
_diffrn_ambient_temperature      273.2
_exptl_crystal_density_diffrn    1.235
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2018-01-29
;
_cod_original_formula_sum        'C71 H52 Cl4 O10 '
_cod_database_code               4020765
Conversion of Phenyl-Substituted Cyclopentadienes to Pyrylium Cations
Gui Ling Ning; Xin Cheng Li; Megumu Munakata; Wei Tao Gong; Masahiko Maekawa; Tadao Kamikawa; Journal of Organic Chemistry 69 (2004) 1432–1434; doi:10.1021/jo030243k

data_4020766
_publ_section_title
;
 Conversion of Phenyl-Substituted Cyclopentadienes to Pyrylium Cations
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              1432
_journal_page_last               1434
_journal_paper_doi               10.1021/jo030243k
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C29 H23 Ag Cl2 O10'
_chemical_formula_weight         710.27
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.25(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.030(3)
_cell_length_b                   13.764(4)
_cell_length_c                   17.662(6)
_cell_measurement_temperature    296.2
_cell_volume                     2919(1)
_diffrn_ambient_temperature      296.2
_exptl_crystal_density_diffrn    1.616
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2018-01-29
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4020766
Conversion of Phenyl-Substituted Cyclopentadienes to Pyrylium Cations
Gui Ling Ning; Xin Cheng Li; Megumu Munakata; Wei Tao Gong; Masahiko Maekawa; Tadao Kamikawa; Journal of Organic Chemistry 69 (2004) 1432–1434; doi:10.1021/jo030243k

data_4020767
_publ_section_title
;
 Conversion of Phenyl-Substituted Cyclopentadienes to Pyrylium Cations
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              1432
_journal_page_last               1434
_journal_paper_doi               10.1021/jo030243k
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C23 H17 Cl O5'
_chemical_formula_weight         408.82
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 98.874(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.9904(10)
_cell_length_b                   14.747(2)
_cell_length_c                   18.830(3)
_cell_measurement_temperature    298(2)
_cell_volume                     1917.9(5)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.416
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4020767
Enols of Amides Activated by the 2,2,2-Trichloroethoxycarbonyl Group
Ahmad Basheer; Zvi Rappoport; Journal of Organic Chemistry 69 (2004) 1151–1160; doi:10.1021/jo030266z

data_4020768
_publ_section_title
;
 Enols of Amides Activated by the 2,2,2-Trichloroethoxycarbonyl Group
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              1151
_journal_page_last               1160
_journal_paper_doi               10.1021/jo030266z
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C9 H11 N2 O3 Cl3'
_chemical_formula_sum            'C9 H11 Cl3 N2 O3'
_chemical_formula_weight         301.56
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                103.06(1)
_cell_angle_beta                 94.02(1)
_cell_angle_gamma                100.73(1)
_cell_formula_units_Z            2
_cell_length_a                   8.757(3)
_cell_length_b                   9.643(2)
_cell_length_c                   8.346(2)
_cell_measurement_temperature    293.2
_cell_volume                     669.9(3)
_diffrn_ambient_temperature      293.2
_exptl_crystal_density_diffrn    1.495
_refine_ls_R_factor_obs          0.0610
_refine_ls_wR_factor_obs         0.0810
_cod_original_formula_sum        'C9 H11 N2 O3 Cl3'
_cod_database_code               4020768
Novel Versatile Synthesis of Substituted Tetrabenzoporphyrins
Olga S. Finikova; Andrei V. Cheprakov; Irina P. Beletskaya; Patrick J. Carroll; Sergei A. Vinogradov; Journal of Organic Chemistry 69 (2004) 522–535; doi:10.1021/jo0350054

data_4020769
_publ_section_title
;
 Novel Versatile Synthesis of Substituted Tetrabenzoporphyrins
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              522
_journal_page_last               535
_journal_paper_doi               10.1021/jo0350054
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C77 H53 Cl3 N4 Ni O16'
_chemical_formula_weight         1455.29
_chemical_name_common            'Ni tetrabenzoporphyrin'
_space_group_IT_number           114
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      114
_symmetry_space_group_name_Hall  'P -4 2n'
_symmetry_space_group_name_H-M   'P -4 21 c'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   20.8569(4)
_cell_length_b                   20.8569(4)
_cell_length_c                   9.0442(2)
_cell_measurement_temperature    180(2)
_cell_volume                     3934.32(14)
_diffrn_ambient_temperature      180(2)
_exptl_crystal_density_diffrn    1.228
_refine_ls_R_factor_obs          0.0617
_refine_ls_wR_factor_obs         0.1583
_cod_database_code               4020769
Planar Chiral Dianthranilide and Dithiodianthranilide Molecules: Optical Resolution, Chiroptical Spectra, and Molecular Self-Assembly
Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński; Journal of Organic Chemistry 69 (2004) 1248–1255; doi:10.1021/jo035024d

data_4020770
_publ_section_title
;
 Planar Chiral Dianthranilide and Dithiodianthranilide Molecules:
 Optical Resolution, Chiroptical Spectra,
 and Molecular Self-Assembly
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              1248
_journal_page_last               1255
_journal_paper_doi               10.1021/jo035024d
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C14 H10 N2 S2'
_chemical_formula_sum            'C14 H10 N2 S2'
_chemical_formula_weight         270.36
_chemical_melting_point          305.0(10)
_chemical_name_common            (R)-dithiodianthranilide
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   6.656(1)
_cell_length_b                   14.038(3)
_cell_length_c                   40.714(8)
_cell_measurement_temperature    293(2)
_cell_volume                     3804.2(12)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.416
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '304-306' was changed to '305.0(10)'
- the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4020770
Planar Chiral Dianthranilide and Dithiodianthranilide Molecules: Optical Resolution, Chiroptical Spectra, and Molecular Self-Assembly
Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński; Journal of Organic Chemistry 69 (2004) 1248–1255; doi:10.1021/jo035024d

data_4020771
_publ_section_title
;
 Planar Chiral Dianthranilide and Dithiodianthranilide Molecules:
 Optical Resolution, Chiroptical Spectra,
 and Molecular Self-Assembly
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              1248
_journal_page_last               1255
_journal_paper_doi               10.1021/jo035024d
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety
;
C14 H9 N2 S2 1-, C6 H15 N2 1+, 2(C6 H14 N2)
;
_chemical_formula_sum            'C32 H52 N8 S2'
_chemical_formula_weight         612.94
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 102.919(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.6070(10)
_cell_length_b                   12.8255(15)
_cell_length_c                   14.2170(12)
_cell_measurement_temperature    293(2)
_cell_volume                     1707.4(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.192
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4020771
Planar Chiral Dianthranilide and Dithiodianthranilide Molecules: Optical Resolution, Chiroptical Spectra, and Molecular Self-Assembly
Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński; Journal of Organic Chemistry 69 (2004) 1248–1255; doi:10.1021/jo035024d

data_4020772
_publ_section_title
;
 Planar Chiral Dianthranilide and Dithiodianthranilide Molecules:
 Optical Resolution, Chiroptical Spectra,
 and Molecular Self-Assembly
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              1248
_journal_page_last               1255
_journal_paper_doi               10.1021/jo035024d
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety
;
C 14 H10 N2 O2, C2 H6 O S
;
_chemical_formula_sum            'C16 H16 N2 O3 S'
_chemical_formula_weight         316.37
_chemical_name_common
;
(S)-(+)-dianthranilide DMSO 1:1 solvate
;
_space_group_IT_number           19
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.7490(10)
_cell_length_b                   9.7710(10)
_cell_length_c                   18.104(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1547.6(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.358
_cod_database_code               4020772
Planar Chiral Dianthranilide and Dithiodianthranilide Molecules: Optical Resolution, Chiroptical Spectra, and Molecular Self-Assembly
Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński; Journal of Organic Chemistry 69 (2004) 1248–1255; doi:10.1021/jo035024d

data_4020773
_publ_section_title
;
 Planar Chiral Dianthranilide and Dithiodianthranilide Molecules:
 Optical Resolution, Chiroptical Spectra,
 and Molecular Self-Assembly
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              1248
_journal_page_last               1255
_journal_paper_doi               10.1021/jo035024d
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety
;
2(C14 H10 N2 O2), C2 H6 O S
;
_chemical_formula_sum            'C30 H26 N4 O5 S'
_chemical_formula_weight         554.61
_chemical_name_common            'dianthranilide DMSO solvate'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 103.073(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.3970(10)
_cell_length_b                   8.5828(5)
_cell_length_c                   18.7108(11)
_cell_measurement_temperature    293(2)
_cell_volume                     2721.4(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.354
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4020773
Planar Chiral Dianthranilide and Dithiodianthranilide Molecules: Optical Resolution, Chiroptical Spectra, and Molecular Self-Assembly
Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński; Journal of Organic Chemistry 69 (2004) 1248–1255; doi:10.1021/jo035024d

data_4020774
_publ_section_title
;
 Planar Chiral Dianthranilide and Dithiodianthranilide Molecules:
 Optical Resolution, Chiroptical Spectra,
 and Molecular Self-Assembly
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              1248
_journal_page_last               1255
_journal_paper_doi               10.1021/jo035024d
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C14 H10 N2 O2'
_chemical_formula_sum            'C14 H10 N2 O2'
_chemical_formula_weight         238.24
_chemical_name_common            dianthranilide
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.534(15)
_cell_angle_beta                 96.796(16)
_cell_angle_gamma                93.056(15)
_cell_formula_units_Z            4
_cell_length_a                   8.6349(17)
_cell_length_b                   11.2312(19)
_cell_length_c                   12.402(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1181.1(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.340
_cod_database_code               4020774
Planar Chiral Dianthranilide and Dithiodianthranilide Molecules: Optical Resolution, Chiroptical Spectra, and Molecular Self-Assembly
Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński; Journal of Organic Chemistry 69 (2004) 1248–1255; doi:10.1021/jo035024d

data_4020775
_publ_section_title
;
 Planar Chiral Dianthranilide and Dithiodianthranilide Molecules:
 Optical Resolution, Chiroptical Spectra,
 and Molecular Self-Assembly
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              1248
_journal_page_last               1255
_journal_paper_doi               10.1021/jo035024d
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C14 H10 N2 S2'
_chemical_formula_sum            'C14 H10 N2 S2'
_chemical_formula_weight         270.36
_chemical_name_common            dithiodiantranilide
_chemical_temperature_decomposition 335
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                83.99(2)
_cell_angle_beta                 89.72(2)
_cell_angle_gamma                68.74(2)
_cell_formula_units_Z            2
_cell_length_a                   7.669(2)
_cell_length_b                   9.014(2)
_cell_length_c                   9.620(2)
_cell_measurement_temperature    293(2)
_cell_volume                     616.0(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.458
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' tag was changed to
'_chemical_temperature_decomposition' since the value had been
'335(decomp.)'. The value '335(decomp.)' was changed to '335'.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4020775
Planar Chiral Dianthranilide and Dithiodianthranilide Molecules: Optical Resolution, Chiroptical Spectra, and Molecular Self-Assembly
Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński; Journal of Organic Chemistry 69 (2004) 1248–1255; doi:10.1021/jo035024d

data_4020776
_publ_section_title
;
 Planar Chiral Dianthranilide and Dithiodianthranilide Molecules:
 Optical Resolution, Chiroptical Spectra,
 and Molecular Self-Assembly
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              1248
_journal_page_last               1255
_journal_paper_doi               10.1021/jo035024d
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C34 H34 N2 O8'
_chemical_formula_sum            'C34 H34 N2 O8'
_chemical_formula_weight         598.63
_chemical_melting_point          205.0(10)
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.737(2)
_cell_length_b                   14.931(3)
_cell_length_c                   18.911(4)
_cell_measurement_temperature    293(2)
_cell_volume                     3031.7(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.312
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '204-206' was changed to '205.0(10)'
- the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4020776