LMucko/crystallography-open-database huggingface dataset:
Crystal structure of 11-chloro-2-methyl-7,8,9,10-tetrahydro[1,3]thiazolo- [5,4-a]acridine, C~15~H~13~ClN~2~S
Robin, M.; Galy, J.-P.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 233–234; doi:

data_8100617
_publ_section_title
;
Crystal structure of 11-chloro-2-methyl-7,8,9,10-tetrahydro[1,3]thiazolo-
[5,4-a]acridine, C~15~H~13~ClN~2~S
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              233
_journal_page_last               234
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C30 H26 Cl2 N4 S2 '
_chemical_formula_structural     'C15 H13 Cl1 N2 S1'
_chemical_formula_sum            'C15 H13 Cl N2 S'
_chemical_formula_weight         613.714
_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                96.732(5)
_cell_angle_beta                 99.616(4)
_cell_angle_gamma                102.884(4)
_cell_formula_units_Z            4
_cell_length_a                   10.225(1)
_cell_length_b                   11.4840(9)
_cell_length_c                   12.019(1)
_cell_measurement_temperature    298
_cell_volume                     1338.8(2)
_exptl_crystal_density_diffrn    1.522
_refine_ls_goodness_of_fit_gt    1.332
_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        'C15 H13 Cl1 N2 S1'
_cod_database_code               8100617
Refinement of the crystal structure of 5,7,12,14-tetrahydro[2,3-b]- quinolinoacridine (γ-form), C~20~H~12~N~2~O~2~, at 223 K
Mizuguchi, Jin; Sasaki, Takahiro; Tojo, Kaoru; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 249–250; doi:

data_8100618
_publ_section_title
;
Refinement of the crystal structure of 5,7,12,14-tetrahydro[2,3-b]-
quinolinoacridine (\g-form), C~20~H~12~N~2~O~2~, at 223 K
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              249
_journal_page_last               250
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C20 H12 N2 O2 '
_chemical_formula_structural     'C20 H12 N2 O2 '
_chemical_formula_sum            'C20 H12 N2 O2'
_chemical_formula_weight         312.33
_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
_cell_angle_beta                 100.09(9)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.70(1)
_cell_length_b                   3.84(1)
_cell_length_c                   13.35(2)
_cell_measurement_temperature    223
_cell_volume                     691(2)
_exptl_crystal_density_diffrn    1.499
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C20 H12 N2 O2 '
_cod_database_code               8100618
Crystal structure of aquamagnesiumphthalocyanine, (C~32~H~16~N~8~) Mg(H~2~O)
Mizuguchi, Jin; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 251–252; doi:

data_8100619
_publ_section_title
;
Crystal structure of aquamagnesiumphthalocyanine, (C~32~H~16~N~8~)
Mg(H~2~O)
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              251
_journal_page_last               252
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     '(C32 H16 N8)Mg(H2 O)'
_chemical_formula_sum            'C32 H18 Mg N8 O'
_chemical_formula_weight         554.85
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.678(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.526(2)
_cell_length_b                   13.927(2)
_cell_length_c                   13.559(2)
_cell_measurement_temperature    93.2
_cell_volume                     2470.9(6)
_exptl_crystal_density_diffrn    1.491
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C32 H18 N8 Mg O'
_cod_database_code               8100619
Crystal structure of (benzonitrile)chloro(N-phenylamidine-N-cyclohexylamine) platinum(II) chloride hydrate, [PtCl(C~7~H~5~N)(C~13~H~19~N~3~)]Cl · 1.33H~2~O
Abu-Surrah, Adnan S.; Klinga, Martti; Leskelä, Markku; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 257–258; doi:

data_8100620
_publ_section_title
;
Crystal structure of (benzonitrile)chloro(N-phenylamidine-N-cyclohexylamine)
platinum(II) chloride hydrate, [PtCl(C~7~H~5~N)(C~13~H~19~N~3~)]Cl 
&#x00B7; 1.33H~2~O
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              257
_journal_page_last               258
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     '[PtCl(C7 H5 N)(C13 H19 N3)]Cl . 1.33H2 O'
_chemical_formula_sum            'C20 H26.67 Cl2 N4 O1.33 Pt'
_chemical_formula_weight         610.44
_space_group_IT_number           146
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  'P 3*'
_symmetry_space_group_name_H-M   'R 3 :R'
_cell_angle_alpha                54.67(2)
_cell_angle_beta                 54.67(2)
_cell_angle_gamma                54.67(2)
_cell_formula_units_Z            3
_cell_length_a                   14.671(5)
_cell_length_b                   14.671(5)
_cell_length_c                   14.671(5)
_cell_measurement_temperature    193(2)
_cell_volume                     1955.6(12)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.555
_cod_original_sg_symbol_H-M      'R 3'
_cod_database_code               8100620
Crystal structure of 2-[2-(1-adamantanecarboxamido)ethyl]-1,2,3,4- tetrahydroisoquinolinium chloride monohydrate, (C~22~H~31~N~2~O)Cl · H~2~O
Karolak-Wojciechowska, Janina; Fruziński, Andrzej; Paluchowska, Maria; Mokrosz, Maria; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 259–260; doi:

data_8100621
_publ_section_title
;
Crystal structure of 2-[2-(1-adamantanecarboxamido)ethyl]-1,2,3,4-
tetrahydroisoquinolinium chloride monohydrate, (C~22~H~31~N~2~O)Cl 
&#x00B7; H~2~O
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              259
_journal_page_last               260
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C22 H31 N2 O+ .Cl- .H2O'
_chemical_formula_structural     '(C22 H31 N2 O)Cl . H2 O'
_chemical_formula_sum            'C22 H33 Cl N2 O2'
_chemical_formula_weight         392.95
_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                 94.12(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.157(3)
_cell_length_b                   17.426(3)
_cell_length_c                   7.2110(10)
_cell_measurement_temperature    293(2)
_cell_volume                     2150.4(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.214
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C22 H33 Cl1 N2 O2'
_cod_database_code               8100621
Crystal structure of 2-[4-(cyclohexanecarboxamido)butyl]-1,2,3,4-tetrahydroisoquinoline chloride dihydrate, (C~20~H~31~N~2~O)Cl · 2H~2~O
Karolak-Wojciechowska, Janina; Fruziński, Andrzej; Misztal, Stanisław; Mokrosz, Maria; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 261–262; doi:

data_8100622
_publ_section_title
;Crystal structure of
 2-[4-(cyclohexanecarboxamido)butyl]-1,2,3,4-tetrahydroisoquinoline chloride
 dihydrate, (C~20~H~31~N~2~O)Cl &#x00B7; 2H~2~O
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              261
_journal_page_last               262
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C20 H31 N2 O+ .Cl- .2H2O'
_chemical_formula_structural     '(C20 H31 N2 O)Cl . 2H2 O'
_chemical_formula_sum            'C20 H35 Cl N2 O3'
_chemical_formula_weight         386.95
_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                   5.6210(10)
_cell_length_b                   12.369(2)
_cell_length_c                   31.240(6)
_cell_measurement_temperature    293(2)
_cell_volume                     2172.0(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.183
_cod_original_formula_sum        'C20 H35 Cl1 N2 O3'
_cod_database_code               8100622
Crystal structure of aquamagnesiumphthalocyanine pyridine (2/3), 2 (C~32~H~16~N~8~)Mg(H~2~O) · 3C~5~H~5~N
Mizuguchi, Jin; Mochizuki, Misato; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 244–246; doi:

data_8100623
_publ_section_title
;
Crystal structure of aquamagnesiumphthalocyanine pyridine (2/3), 2
(C~32~H~16~N~8~)Mg(H~2~O) &#x00B7; 3C~5~H~5~N
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              244
_journal_page_last               246
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C79 H51 N19 Mg2 O2 '
_chemical_formula_structural     '2(C32 H16 N8 Mg)H2 O . 3C5 H5 N'
_chemical_formula_sum            'C79 H51 Mg2 N19 O2'
_chemical_formula_weight         1379.02
_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                102.96(5)
_cell_angle_beta                 112.59(4)
_cell_angle_gamma                104.01(5)
_cell_formula_units_Z            2
_cell_length_a                   13.586(8)
_cell_length_b                   15.640(9)
_cell_length_c                   17.667(10)
_cell_measurement_temperature    223.2
_cell_volume                     3144(3)
_exptl_crystal_density_diffrn    1.339
_cod_original_formula_sum        'C79 H51 N19 Mg2 O2 '
_cod_database_code               8100623
Crystal structure of bis[(p-chlorophenyl)isopropylbiguadinium] tetrachloroplatinate(II) bisdimethylformamide, C~14~H~24~Cl~3~N~6~OPt~0.5~, and of bis[(p-chlorophenyl)isopropylbiguadinium] hexachloroplatinate(IV) bisdimethylformamide, C~28~H~46~Cl~8~N~12~O~2~Pt
Bentefrit, B.; Lemoine, P.; Morgant, G.; Tomas, A.; Nguyen-Huy, D.; Viossat, B.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 263–266; doi:

data_8100624
_publ_section_title
;
Crystal structure of bis[(p-chlorophenyl)isopropylbiguadinium] 
tetrachloroplatinate(II) bisdimethylformamide, C~14~H~24~Cl~3~N~6~OPt~0.5~, 
and of bis[(p-chlorophenyl)isopropylbiguadinium] hexachloroplatinate(IV) 
bisdimethylformamide, C~28~H~46~Cl~8~N~12~O~2~Pt
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              263
_journal_page_last               266
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C14 H24 Cl3 N6 O Pt0.50'
_chemical_formula_structural     'C14 H24 Cl3 N6 O Pt0.50'
_chemical_formula_sum            'C14 H24 Cl3 N6 O Pt0.5'
_chemical_formula_weight         496.29
_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                72.46(2)
_cell_angle_beta                 87.64(2)
_cell_angle_gamma                85.90(2)
_cell_formula_units_Z            2
_cell_length_a                   9.347(2)
_cell_length_b                   10.228(2)
_cell_length_c                   11.503(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1045.7(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.576
_exptl_crystal_density_meas      1.61
_cod_original_formula_sum        'C14 H24 Cl3 N6 O Pt0.50'
_cod_database_code               8100624
Crystal structure of bis[(p-chlorophenyl)isopropylbiguadinium] tetrachloroplatinate(II) bisdimethylformamide, C~14~H~24~Cl~3~N~6~OPt~0.5~, and of bis[(p-chlorophenyl)isopropylbiguadinium] hexachloroplatinate(IV) bisdimethylformamide, C~28~H~46~Cl~8~N~12~O~2~Pt
Bentefrit, B.; Lemoine, P.; Morgant, G.; Tomas, A.; Nguyen-Huy, D.; Viossat, B.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 263–266; doi:

data_8100625
_publ_section_title
;
Crystal structure of bis[(p-chlorophenyl)isopropylbiguadinium] 
tetrachloroplatinate(II) bisdimethylformamide, C~14~H~24~Cl~3~N~6~OPt~0.5~, 
and of bis[(p-chlorophenyl)isopropylbiguadinium] hexachloroplatinate(IV) 
bisdimethylformamide, C~28~H~46~Cl~8~N~12~O~2~Pt
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              263
_journal_page_last               266
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C28 H46 Cl8 N12 O2 Pt'
_chemical_formula_sum            'C28 H46 Cl8 N12 O2 Pt'
_chemical_formula_weight         1061.46
_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                 101.23(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.604(2)
_cell_length_b                   9.996(3)
_cell_length_c                   21.103(7)
_cell_measurement_temperature    293(2)
_cell_volume                     2194.0(11)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.607
_exptl_crystal_density_meas      1.61
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8100625
Crystal structure of 6-bromo-3-(4'-chlorophenyl)-4-methylcoumarin, C~16~H~10~BrClO~2~
Shoja, M.; Krikava, A.; Kabbani, R.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 267–268; doi:

data_8100626
_publ_section_title
;
Crystal structure of 6-bromo-3-(4'-chlorophenyl)-4-methylcoumarin, 
C~16~H~10~BrClO~2~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              267
_journal_page_last               268
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C16 H10 Br1 Cl1 O2'
_chemical_formula_sum            'C16 H10 Br Cl O2'
_chemical_formula_weight         349.61
_chemical_melting_point          491.0(10)
_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                90.00000
_cell_angle_beta                 138.03(2)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            8
_cell_length_a                   21.984(7)
_cell_length_b                   10.819(2)
_cell_length_c                   18.168(2)
_cell_measurement_temperature    293
_cell_volume                     2889.6(16)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.607
_refine_ls_R_factor_obs          .065
_refine_ls_wR_factor_obs         .079
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '490-492 K' was changed to
'491.0(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_original_sg_symbol_Hall     -c_2yc
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C16 H10 Br1 Cl1 O2'
_cod_database_code               8100626
Crystal structure of 3,3'-dithio-bis(4-ferrocenylbenzo[4',5']-imidazolo [1,2-c]-thiazol-1-thione), C~38~H~26~Fe~2~N~4~S~6~
Malaun, Michael; Bildstein, Benno; Wurst, Klaus; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 269–270; doi:

data_8100627
_publ_section_title
;
Crystal structure of 3,3'-dithio-bis(4-ferrocenylbenzo[4',5']-imidazolo
[1,2-c]-thiazol-1-thione), C~38~H~26~Fe~2~N~4~S~6~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              269
_journal_page_last               270
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C38 H26 Fe2 N4 S6'
_chemical_formula_structural     'C38 H26 Fe2 N4 S6'
_chemical_formula_sum            'C38 H26 Fe2 N4 S6'
_chemical_formula_weight         842.69
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.863(1)
_cell_length_b                   18.630(1)
_cell_length_c                   20.837(1)
_cell_measurement_temperature    218(2)
_cell_volume                     3440.6(5)
_diffrn_ambient_temperature      218(2)
_exptl_crystal_density_diffrn    1.627
_cod_database_code               8100627
Crystal structure of bis(acetonitrile)bis[μ-(benzylthiolato)] hexacarbonyl-di(molybdenum), [Mo(CO)~3~(SCH~2~C~6~H~5~)(CH~3~CN)]~2~
Walters, M. A.; Sireci, A.; Incarvito, Ch. D.; Rheingold, A. L.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 271–272; doi:

data_8100628
_publ_section_title
;
Crystal structure of bis(acetonitrile)bis[\m-(benzylthiolato)]
hexacarbonyl-di(molybdenum), [Mo(CO)~3~(SCH~2~C~6~H~5~)(CH~3~CN)]~2~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              271
_journal_page_last               272
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     '[Mo(CO)3 (SCH2 PH)(CH3 CN)]2'
_chemical_formula_sum            'C24 H20 Mo2 N2 O6 S2'
_chemical_formula_weight         688.42
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.1037(15)
_cell_length_b                   12.4238(16)
_cell_length_c                   19.332(3)
_cell_measurement_temperature    173(2)
_cell_volume                     2666.8(6)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.715
_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               8100628
Crystal structure of 9-methyl-(6-N-pyrrolyl)purine, C~10~H~9~N~5~
Mrvoš-Sermek, D.; Cetina, M.; Krištafor, V.; Džolić, Z.; Mintas, M.; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 273–274; doi:

data_8100629
_publ_section_title
;
Crystal structure of 9-methyl-(6-N-pyrrolyl)purine, C~10~H~9~N~5~
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              273
_journal_page_last               274
_journal_volume                  217
_journal_year                    2002
_chemical_formula_structural     'C10 H9 N5'
_chemical_formula_sum            'C10 H9 N5'
_chemical_formula_weight         199.22
_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                 91.009(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.053(1)
_cell_length_b                   10.231(1)
_cell_length_c                   16.639(2)
_cell_measurement_temperature    295(2)
_cell_volume                     1881.3(3)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.407
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               8100629
Refinement of the crystal structure of α-3,4:9,10-perylenetetracarboxylic dianhydride, C~24~H~8~O~6~, at 223 K
Tojo, Kaoru; Mizuguchi, Jin; Zeitschrift für Kristallographie - New Crystal Structures 217 (2002) 253–254; doi:

data_8100630
_publ_section_title
;
Refinement of the crystal structure of \a-3,4:9,10-perylenetetracarboxylic 
dianhydride, C~24~H~8~O~6~, at 223 K
;
_journal_issue                   2
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              253
_journal_page_last               254
_journal_volume                  217
_journal_year                    2002
_chemical_formula_moiety         'C24 H8 O6'
_chemical_formula_structural     'C24 H8 O6'
_chemical_formula_sum            'C24 H8 O6'
_chemical_formula_weight         392.32
_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                 93.26(6)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.703(6)
_cell_length_b                   12.013(5)
_cell_length_c                   17.161(3)
_cell_measurement_temperature    223.2
_cell_volume                     762(1)
_exptl_crystal_density_diffrn    1.709
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               8100630