LMucko/crystallography-open-database huggingface dataset:
Crystal structure of diiodo[(+)-1,2-bis((2S,5S)-2,5-dimethylphospholano) benzene-P,P']nickel, C~18~H~28~I~2~NiP~2~
Frenzen, Gerlinde; Reim, Stefan; Sippel, Heike; Frauenrath, Herbert; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 121–122; doi:

data_8101447
_publ_section_title
;
Crystal structure of diiodo[(+)-1,2-bis((2S,5S)-2,5-dimethylphospholano)
benzene-P,P']nickel, C~18~H~28~I~2~NiP~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              121
_journal_page_last               122
_journal_volume                  214
_journal_year                    1999
_chemical_formula_sum            'C18 H28 I2 Ni P2'
_chemical_formula_weight         618.85
_space_group_IT_number           76
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4w'
_symmetry_space_group_name_H-M   'P 41'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.957(3)
_cell_length_b                   10.957(3)
_cell_length_c                   18.948(5)
_cell_measurement_temperature    193(2)
_cell_volume                     2274.8(11)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.807
_refine_ls_R_factor_obs          0.0387
_refine_ls_wR_factor_obs         0.0743
_reflns_number_observed          1705
_cod_database_code               8101447
Crystal structure of dichloro[(+)-1,2-bis((2S,5S)-2,5-dimethylphospholano) benzene-P,P']nickel, C~18~H~28~Cl~2~NiP~2~
Frenzen, Gerlinde; Reim, Stefan; Sippel, Heike; Frauenrath, Herbert; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 123–124; doi:

data_8101448
_publ_section_title
;
Crystal structure of dichloro[(+)-1,2-bis((2S,5S)-2,5-dimethylphospholano)
benzene-P,P']nickel, C~18~H~28~Cl~2~NiP~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              123
_journal_page_last               124
_journal_volume                  214
_journal_year                    1999
_chemical_formula_sum            'C18 H28 Cl2 Ni P2'
_chemical_formula_weight         435.95
_space_group_IT_number           76
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4w'
_symmetry_space_group_name_H-M   'P 41'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.390
_cell_length_b                   10.390
_cell_length_c                   18.9620(10)
_cell_measurement_temperature    193(2)
_cell_volume                     2046.99(11)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.415
_refine_ls_R_factor_obs          0.0279
_refine_ls_wR_factor_obs         0.0664
_cod_database_code               8101448
Crystal structure of syn-N-methyl-N-(3,5,5-trimethyl-2-oxohex-4-yl) acetamide, C~12~H~23~NO~2~
Frenzen, Gerlinde; Rabe, Susanne; Tomm, Sabine; Frauenrath, Herbert; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 125–126; doi:

data_8101449
_publ_section_title
;
Crystal structure of syn-N-methyl-N-(3,5,5-trimethyl-2-oxohex-4-yl)
acetamide, C~12~H~23~NO~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              125
_journal_page_last               126
_journal_volume                  214
_journal_year                    1999
_chemical_formula_sum            'C12 H23 N O2'
_chemical_formula_weight         213.31
_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                 100.50(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.2440(10)
_cell_length_b                   14.686(3)
_cell_length_c                   14.344(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1293.3(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.096
_refine_ls_R_factor_obs          0.0707
_refine_ls_wR_factor_obs         0.1366
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (5 times).

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               8101449
Crystal structure of anti-3-(N,N-diethylamino)-2-ethyl-3-phenylpropanale, C~15~H~23~NO
Frenzen, Gerlinde; Tomm, Sabine; Frauenrath, Herbert; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 127–128; doi:

data_8101450
_publ_section_title
;
Crystal structure of anti-3-(N,N-diethylamino)-2-ethyl-3-phenylpropanale, 
C~15~H~23~NO
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              127
_journal_page_last               128
_journal_volume                  214
_journal_year                    1999
_chemical_formula_sum            'C15 H23 N O'
_chemical_formula_weight         233.34
_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                   8.565(3)
_cell_length_b                   8.920(3)
_cell_length_c                   18.612(3)
_cell_measurement_temperature    193(2)
_cell_volume                     1422.0(7)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.090
_refine_ls_R_factor_obs          0.0812
_refine_ls_wR_factor_obs         0.1526
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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               8101450
Crystal structure of pentastrontium trigermanide, Sr~5~Ge~3~
Nesper, Reinhard; Zürcher, Fabio; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 21–21; doi:

data_8101451
_publ_section_title
;
Crystal structure of pentastrontium trigermanide, Sr~5~Ge~3~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              21
_journal_page_last               21
_journal_volume                  214
_journal_year                    1999
_chemical_formula_moiety         Sr5Ge3
_chemical_formula_sum            'Ge3 Sr5'
_chemical_formula_weight         655.87
_space_group_IT_number           140
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.134(4)
_cell_length_b                   8.134(4)
_cell_length_c                   15.771(8)
_cell_measurement_temperature    298(2)
_cell_volume                     1043.4(9)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    4.175
_refine_ls_R_factor_obs          0.0454
_refine_ls_wR_factor_obs         0.1163
_cod_database_code               8101451
Crystal structure of pentabarium trigermanide, Ba~5~Ge~3~
Nesper, Reinhard; Zürcher, Fabio; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 22–22; doi:

data_8101452
_publ_section_title
;
Crystal structure of pentabarium trigermanide, Ba~5~Ge~3~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              22
_journal_page_last               22
_journal_volume                  214
_journal_year                    1999
_chemical_formula_moiety         Ba5Ge3
_chemical_formula_sum            'Ba5 Ge3'
_chemical_formula_weight         904.47
_space_group_IT_number           130
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.519(4)
_cell_length_b                   8.519(4)
_cell_length_c                   16.554(8)
_cell_measurement_temperature    298(2)
_cell_volume                     1201(1)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    5.001
_refine_ls_R_factor_obs          0.0446
_refine_ls_wR_factor_obs         0.0891
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_database_code               8101452
Redetermination of the crystal structure of pentastrontium trisilicide, Sr~5~Si~3~
Nesper, Reinhard; Zürcher, Fabio; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 19–19; doi:

data_8101453
_publ_section_title
;
Redetermination of the crystal structure of pentastrontium trisilicide, 
Sr~5~Si~3~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              19
_journal_page_last               19
_journal_volume                  214
_journal_year                    1999
_chemical_formula_moiety         'Sr5 Si3'
_chemical_formula_sum            'Si3 Sr5'
_chemical_formula_weight         522.37
_space_group_IT_number           140
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.089(4)
_cell_length_b                   8.089(4)
_cell_length_c                   15.733(8)
_cell_measurement_temperature    298(2)
_cell_volume                     1029.4(9)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    3.371
_refine_ls_R_factor_obs          0.0288
_refine_ls_wR_factor_obs         0.0551
_cod_database_code               8101453
Refinement of the crystal structure of pentabarium trisilicide, Ba~5~Si~3~
Nesper, Reinhard; Zürcher, Fabio; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 20–20; doi:

data_8101454
_publ_section_title
;
Refinement of the crystal structure of pentabarium trisilicide, Ba~5~Si~3~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              20
_journal_page_last               20
_journal_volume                  214
_journal_year                    1999
_chemical_formula_moiety         'Ba5 Si3'
_chemical_formula_sum            'Ba5 Si3'
_chemical_formula_weight         770.97
_space_group_IT_number           130
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.465(6)
_cell_length_b                   8.465(6)
_cell_length_c                   16.45(1)
_cell_measurement_temperature    298(2)
_cell_volume                     1179(1)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    4.344
_refine_ls_R_factor_obs          0.0352
_refine_ls_wR_factor_obs         0.0937
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_database_code               8101454
Crystal structure of hexapraseodymium(III) trinitride tetrasulfide chloride, Pr~6~N~3~S~4~Cl
Meyer, Monika; Schleid, Thomas; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 23–24; doi:

data_8101455
_publ_section_title
;
Crystal structure of hexapraseodymium(III) trinitride tetrasulfide chloride, 
Pr~6~N~3~S~4~Cl
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              23
_journal_page_last               24
_journal_volume                  214
_journal_year                    1999
_chemical_formula_analytical     'Pr6 N3 S4 Cl'
_chemical_formula_sum            'Cl N3 Pr6 S4'
_chemical_formula_weight         1051.18
_chemical_name_common
;
  praseodymium(III) nitride sulfide chloride (6/3/4/1)
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   11.3987(8)
_cell_length_b                   4.0235(3)
_cell_length_c                   26.9993(14)
_cell_measurement_temperature    293(2)
_cell_volume                     1238.26(14)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    5.64
_refine_ls_R_factor_obs          0.0373
_refine_ls_wR_factor_obs         0.0787
_cod_database_code               8101455
Crystal structure of β-lithium hexafluorogallate, Li~3~GaF~6~
Koehler, Juergen; Tyagi, A. K.; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 25–26; doi:

data_8101456
_publ_section_title
;
Crystal structure of \b-lithium hexafluorogallate, Li~3~GaF~6~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              25
_journal_page_last               26
_journal_volume                  214
_journal_year                    1999
_chemical_formula_sum            'F6 Ga Li3'
_chemical_formula_weight         204.54
_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                 94.78(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            12
_cell_length_a                   14.367(3)
_cell_length_b                   8.571(2)
_cell_length_c                   9.994(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1226.4(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.323
_refine_ls_R_factor_obs          0.0265
_refine_ls_wR_factor_obs         0.0617
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'Li3 Ga F6'
_cod_database_code               8101456
Crystal structure of cesium heptaindium nonasulfide, CsIn~7~S~9~
Reiner, Christof; Deiseroth, Hans Jörg; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 13–13; doi:

data_8101457
_publ_section_title
;
Crystal structure of cesium heptaindium nonasulfide, CsIn~7~S~9~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              13
_journal_page_last               13
_journal_volume                  214
_journal_year                    1999
_chemical_formula_structural     'Cs in 7 S9'
_chemical_formula_sum            'Cs In7 S9'
_chemical_formula_weight         1225.19
_space_group_IT_number           59
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   24.744(5)
_cell_length_b                   3.9130(10)
_cell_length_c                   8.974(2)
_cell_measurement_temperature    293(2)
_cell_volume                     868.9(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    4.683
_refine_ls_R_factor_obs          0.0190
_refine_ls_wR_factor_obs         0.0393
_cod_original_sg_symbol_H-M      'P m m n'
_cod_database_code               8101457
Crystal structure of heptastrontium hexaerbium triacontafluoride oxide, Sr~7~Er~6~F~30~O
Koehler, Juergen; Tyagi, A.K.; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 27–28; doi:

data_8101458
_publ_section_title
;
Crystal structure of heptastrontium hexaerbium triacontafluoride oxide, 
Sr~7~Er~6~F~30~O
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              27
_journal_page_last               28
_journal_volume                  214
_journal_year                    1999
_chemical_formula_structural     'Sr7 Er6 F30 O'
_chemical_formula_sum            'Er6 F30 O Sr7'
_chemical_formula_weight         2202.90
_space_group_IT_number           148
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   14.475(2)
_cell_length_b                   14.475(2)
_cell_length_c                   9.894(1)
_cell_measurement_temperature    293(2)
_cell_volume                     1795.3(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    6.113
_refine_ls_R_factor_obs          0.0362
_refine_ls_wR_factor_obs         0.0671
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               8101458
Crystal structure and absolute configuration of 1'-[3-(diethylamino) propyl]-3,4-dihydrospiro[naphthalene-1(2H),3'-pyrrolidine-2',5'-dione hydrochloride, RAC-109 I ·HCl, C20H28N2O2 · HCl
Csöregh, Ingeborg; Sandberg, Rune; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 227–229; doi:

data_8101459
_publ_section_title
;
Crystal structure and absolute configuration of 1'-[3-(diethylamino)
propyl]-3,4-dihydrospiro[naphthalene-1(2H),3'-pyrrolidine-2',5'-dione 
hydrochloride, RAC-109 I &#x00B7;HCl, C20H28N2O2 &#x00B7; HCl
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              227
_journal_page_last               229
_journal_volume                  214
_journal_year                    1999
_chemical_formula_moiety         'C20 H28 N2 O2.HCl'
_chemical_formula_structural     'C20 H28 N2 O2 . H Cl'
_chemical_formula_sum            'C20 H29 Cl N2 O2'
_chemical_formula_weight         364.91
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                84.671(5)
_cell_angle_beta                 89.926(4)
_cell_angle_gamma                85.615(6)
_cell_formula_units_Z            2
_cell_length_a                   7.0746(2)
_cell_length_b                   8.8235(3)
_cell_length_c                   16.0023(8)
_cell_measurement_temperature    293(2)
_cell_volume                     991.66(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.2221(1)
_refine_ls_R_factor_obs          0.038
_refine_ls_wR_factor_obs         0.043
_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_original_formula_sum        'C20 H29 N2 O2 Cl'
_cod_database_code               8101459
Crystal structure of (S)-3-(1-methylethyl)-5-[(1-naphthalenyloxy)methyl]- 2-oxazolidinone, C17H19NO3
Cirilli, Roberto; Gasparrini, Francesco; Villani, Claudio; Gavuzzo, Enrico; Cirilli, Maurizio; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 179–180; doi:

data_8101460
_publ_section_title
;
Crystal structure of (S)-3-(1-methylethyl)-5-[(1-naphthalenyloxy)methyl]-
2-oxazolidinone, C17H19NO3
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              179
_journal_page_last               180
_journal_volume                  214
_journal_year                    1999
_chemical_formula_sum            'C17 H19 N O3'
_chemical_formula_weight         285.33
_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                 91.85(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.269(9)
_cell_length_b                   6.215(9)
_cell_length_c                   14.816(8)
_cell_measurement_temperature    293(2)
_cell_volume                     761.0(14)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.245
_refine_ls_R_factor_obs          0.0440
_refine_ls_wR_factor_obs         0.1195
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               8101460
Crystal structure of bis[R-(+)-1-(1-naphthyl)ethylammonium]squarate, [C12H14N]2C4O4
Kolev, Tsonko; Glavcheva, Zornitza; Schürmann, Markus; Preut, Hans; Bleckmann, Paul; Radomirska, Valentina; Zeitschrift für Kristallographie - New Crystal Structures 214 (1999) 187–188; doi:

data_8101461
_publ_section_title
;
Crystal structure of bis[R-(+)-1-(1-naphthyl)ethylammonium]squarate, 
[C12H14N]2C4O4
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              187
_journal_page_last               188
_journal_volume                  214
_journal_year                    1999
_chemical_formula_structural     '[C12 H14 N]2 C4 O4'
_chemical_formula_sum            'C28 H28 N2 O4'
_chemical_formula_weight         456.52
_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                 109.26(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.373(2)
_cell_length_b                   7.367(2)
_cell_length_c                   14.100(3)
_cell_measurement_temperature    291(2)
_cell_volume                     1213.3(5)
_diffrn_ambient_temperature      291(2)
_exptl_crystal_density_diffrn    1.250
_refine_ls_R_factor_obs          0.0386
_refine_ls_wR_factor_obs         0.1055
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               8101461