LMucko/crystallography-open-database huggingface dataset:
Crystal structure of phenyl 2-biphenyl-2-carboxamide diselenide, C~38~H~28~N~2~O~2~Se~2~
Spirlet, Marie-Rose; Mohsine, Abdelaziz; Christians, Léon; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 121–122; doi:

data_8101181
_publ_section_title
;
Crystal structure of phenyl 2-biphenyl-2-carboxamide diselenide, 
C~38~H~28~N~2~O~2~Se~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              121
_journal_page_last               122
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'C38 H28 N2 O2 Se2'
_chemical_formula_sum            'C38 H28 N2 O2 Se2'
_chemical_formula_weight         702.54
_chemical_name_common
'Phenyl 2-biphenyl-2&#x00B4;-carboxamide diselenide'
_space_group_IT_number           18
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.887(4)
_cell_length_b                   20.582(4)
_cell_length_c                   8.165(2)
_cell_measurement_temperature    293(2)
_cell_volume                     3174.0(12)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.470
_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               8101181
Crystal structure of (2S,3R,4R,5R,1'R,2'S)-3,4-dimethanesulfonyloxy- 2-[2,3-O-isopropylidenedioxy-1-(tert-butoxycarbonylamino)propyl]-5- methyl-tetrahydrofuran, C~18~H~33~NO~11~S~2~
Frey, Wolfgang; Zimmermann, Peter Jan; Jäger, Volker; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 125–126; doi:

data_8101182
_publ_section_title
;
Crystal structure of (2S,3R,4R,5R,1'R,2'S)-3,4-dimethanesulfonyloxy-
2-[2,3-O-isopropylidenedioxy-1-(tert-butoxycarbonylamino)propyl]-5-
methyl-tetrahydrofuran, C~18~H~33~NO~11~S~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              125
_journal_page_last               126
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C18 H33 N O11 S2'
_chemical_formula_weight         503.59
_chemical_melting_point          418.0(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                   8.4415(14)
_cell_length_b                   12.961(2)
_cell_length_c                   23.313(5)
_cell_measurement_temperature    293(2)
_cell_volume                     2550.6(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.311
_refine_ls_R_factor_obs          0.0645
_refine_ls_wR_factor_obs         0.1073
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '417-419' was changed to '418.0(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               8101182
Crystal structure of (2S,3R,4R,5S,1'R,2'S)-3,4-dimethanesulfonyloxy- 2-[2,3-O-isopropylidenedioxy-1-(tert-butoxycarbonylamino)propyl]-5- methyl-tetrahydrofuran ethyl acetate, C~18~H~33~NO~11~S~2~ · C~4~H~8~O~2~
Frey, Wolfgang; Zimmermann, Peter Jan; Jäger, Volker; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 127–128; doi:

data_8101183
_publ_section_title
;
Crystal structure of (2S,3R,4R,5S,1'R,2'S)-3,4-dimethanesulfonyloxy-
2-[2,3-O-isopropylidenedioxy-1-(tert-butoxycarbonylamino)propyl]-5-
methyl-tetrahydrofuran ethyl acetate, C~18~H~33~NO~11~S~2~ &#x00B7; 
C~4~H~8~O~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              127
_journal_page_last               128
_journal_volume                  215
_journal_year                    2000
_chemical_formula_structural     'C18H33NO11S2 +  C4H8O2'
_chemical_formula_sum            'C24 H41 N O13 S2'
_chemical_formula_weight         591.69
_chemical_melting_point          361.5(5)
_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                 104.836(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.407(2)
_cell_length_b                   9.2540(12)
_cell_length_c                   13.8122(13)
_cell_measurement_temperature    293(2)
_cell_volume                     1533.0(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.282
_refine_ls_R_factor_obs          0.0659
_refine_ls_wR_factor_obs         0.1595
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '361-362' was changed to '361.5(5)' -
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_H-M      'P 21'
_cod_database_code               8101183
Crystal structure of (2S,3R,4S,1'R,2'S)-3,4-dimethanesulfonyloxy-2- [2,3-O-isopropylidenedioxy-1-(tert-butoxycarbonylamino)propyl]-5,5- dimethyltetrahydrofuran, C~19~H~3~5NO~11~S~2~
Frey, Wolfgang; Blanarikova, Iva; Zimmermann, Peter Jan; Jäger, Volker; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 129–130; doi:

data_8101184
_publ_section_title
;
Crystal structure of (2S,3R,4S,1'R,2'S)-3,4-dimethanesulfonyloxy-2-
[2,3-O-isopropylidenedioxy-1-(tert-butoxycarbonylamino)propyl]-5,5-
dimethyltetrahydrofuran, C~19~H~3~5NO~11~S~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              129
_journal_page_last               130
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C19 H35 N O11 S2'
_chemical_formula_weight         517.61
_chemical_melting_point          413.5(5)
_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                76.382(14)
_cell_angle_beta                 67.417(14)
_cell_angle_gamma                71.612(14)
_cell_formula_units_Z            1
_cell_length_a                   8.2006(15)
_cell_length_b                   9.368(2)
_cell_length_c                   10.141(2)
_cell_measurement_temperature    293(2)
_cell_volume                     676.8(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.270
_refine_ls_R_factor_obs          0.0420
_refine_ls_wR_factor_obs         0.1155
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '413- 414' was changed to '413.5(5)'
- 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_formula_sum        'C19 H35 NO11 S2'
_cod_database_code               8101184
Crystal structure of cesium guanidinium zirconium bis(nitrilotriacetate) hydrate, Cs(C(NH~2~)~3~)Zr(N(CH~2~COO)~3~)~2~ · H~2~O
Haussühl, Eiken; Tillmanns, Ekkehart; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 103–104; doi:

data_8101185
_publ_section_title
;
Crystal structure of cesium guanidinium zirconium bis(nitrilotriacetate) 
hydrate, Cs(C(NH~2~)~3~)Zr(N(CH~2~COO)~3~)~2~ &#x00B7; H~2~O
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              103
_journal_page_last               104
_journal_volume                  215
_journal_year                    2000
_chemical_formula_structural     'Cs(C(N H2)3) Zr (N(C H2 C O O)3)2 . H2 O'
_chemical_formula_sum            'C13 H20 Cs N5 O13 Zr'
_chemical_formula_weight         678.47
_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                 116.460(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.017(2)
_cell_length_b                   11.206(2)
_cell_length_c                   10.461(2)
_cell_measurement_temperature    298(2)
_cell_volume                     1051.2(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    '2.143 (at 298 K)'
_exptl_crystal_density_meas      2.146
_exptl_crystal_density_meas_temp 293
_refine_ls_R_factor_obs          0.0187
_refine_ls_wR_factor_obs         0.0476
_cod_depositor_comments
;
The following automatic conversions were performed:

Tag '_exptl_crystal_density_meas' value '2.146 (at 293 K)' was
modified to '2.146'. New tag '_exptl_crystal_density_meas_temp' was
created. The value of new tag set to - '293'.

Automatic conversion script
Id: cif_fix_values 3130 2015-03-20 13:55:49Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               8101185
Crystal structure of guanidinium salicilate, C(NH~2~)~3~C~7~H~5~O~3~
Fleck, Michel; Tillmanns, Ekkehart; Haussühl, Siegfried; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 105–106; doi:

data_8101186
_publ_section_title
;
Crystal structure of guanidinium salicilate, C(NH~2~)~3~C~7~H~5~O~3~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              105
_journal_page_last               106
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'C N3 H6 1+, C7H5 O3 1-'
_chemical_formula_structural     'C (N H2)3 C7H5 O3'
_chemical_formula_sum            'C8 H11 N3 O3'
_chemical_formula_weight         197.20
_chemical_name_common            'guanidinium salicilate'
_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            8
_cell_length_a                   9.2210(11)
_cell_length_b                   9.8770(6)
_cell_length_c                   20.783(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1892.8(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.384
_refine_ls_R_factor_obs          0.0411
_refine_ls_wR_factor_obs         0.1047
_cod_database_code               8101186
Crystal structure of tetraaquamagnesium adipate, Mg(H~2~O)~4~(C~6~H~8~O~4~)
Fleck, Michel; Tillmanns, Ekkehart; Haussühl, Siegfried; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 107–108; doi:

data_8101187
_publ_section_title
;
Crystal structure of tetraaquamagnesium adipate, Mg(H~2~O)~4~(C~6~H~8~O~4~)
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              107
_journal_page_last               108
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'Mg 2+, (C6 H8 O4) 2-, 4(H2 O)'
_chemical_formula_sum            'C6 H16 Mg O8'
_chemical_formula_weight         240.50
_chemical_name_common            'magnesium adipate tetrahydrate'
_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                 99.16(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   4.8160(10)
_cell_length_b                   9.869(2)
_cell_length_c                   11.716(2)
_cell_measurement_temperature    293(2)
_cell_volume                     549.75(19)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.453
_refine_ls_R_factor_obs          0.0260
_refine_ls_wR_factor_obs         0.0644
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8101187
Crystal structure of N,N'-ethylenebis(3,5-di-tert-butylsalicylideneiminato) difluorosilane—dioxane (4/1), 4C~32~H~46~F~2~N~2~O~2~Si~4~ · C~4~H~8~O~2~
Haberecht, Jörg; Böhme, Uwe; Lang, Heinrich; Rheinwald, Gerd; Roewer, Gerhard; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 135–137; doi:

data_8101188
_publ_section_title
;
Crystal structure of N,N'-ethylenebis(3,5-di-tert-butylsalicylideneiminato)
difluorosilane---dioxane (4/1), 4C~32~H~46~F~2~N~2~O~2~Si~4~ &#x00B7; 
C~4~H~8~O~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              135
_journal_page_last               137
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         '4(C32 H46 F2 N2 O2 Si), C4 H8 O2'
_chemical_formula_structural     '(C32 H46 F2 N2 O2 Si)4 C4 H8 O2'
_chemical_formula_sum            'C33 H48 F2 N2 O2.5 Si'
_chemical_formula_weight         578.82
_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                89.4677(5)
_cell_angle_beta                 65.9674(5)
_cell_angle_gamma                79.0775(2)
_cell_formula_units_Z            4
_cell_length_a                   14.1657(2)
_cell_length_b                   16.1074(2)
_cell_length_c                   17.12270(10)
_cell_measurement_temperature    173(2)
_cell_volume                     3493.56(7)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.100
_refine_ls_R_factor_obs          0.0577
_refine_ls_wR_factor_obs         0.1278
_cod_original_formula_sum        'C33 H48 F2 N2 O2.50 Si'
_cod_database_code               8101188
Crystal structure of dibromo[(1,1-dibromo-1-mesityl-l4-telluranyl) methyl]-mesityl-l4-tellurane, [MesTeBr~2~]~2~CH~2~
Dakternieks, D.; O'Connell, J.; Tiekink, E. R. T.; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 87–88; doi:

data_8101189
_publ_section_title
;
Crystal structure of dibromo[(1,1-dibromo-1-mesityl-l4-telluranyl)
methyl]-mesityl-l4-tellurane, [MesTeBr~2~]~2~CH~2~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              87
_journal_page_last               88
_journal_volume                  215
_journal_year                    2000
_chemical_formula_moiety         'C19 H24 Br4 Te2'
_chemical_formula_sum            'C19 H24 Br4 Te2'
_chemical_formula_weight         829.2
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.315(9)
_cell_length_b                   8.107(7)
_cell_length_c                   19.888(5)
_cell_measurement_temperature    293
_cell_volume                     2308(2)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    2.386
_refine_ls_R_factor_obs          0.0510
_refine_ls_wR_factor_obs         0.0430
_cod_depositor_comments
;
 Correcting the _chemical_formula_sum and _chemical_formula_moiety data item
 values by changing them from 'C19 H26 Br4 Te2' to 'C19 H24 Br4 Te2' after
 consulting the original publication.

 Antanas Vaitkus,
 2017-09-11
;
_cod_database_code               8101189
Crystal structure of tris[2.2.2]crypt-kalium nonastannide(3‒)— ethylenediamine (2/1), C~55~H~112~K~3~N~7~O~18~Sn~9~
Fässler, Thomas F.; Hoffmann, Rudolf; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 139–142; doi:

data_8101190
_publ_section_title
;
Crystal structure of tris[2.2.2]crypt-kalium nonastannide(3--)---
ethylenediamine (2/1), C~55~H~112~K~3~N~7~O~18~Sn~9~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              139
_journal_page_last               142
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C55 H112 K3 N7 O18 Sn9'
_chemical_formula_weight         2345.03
_chemical_name_common
;
 [K([2.2.2]crypt)] salt of Nonastannide(3-), 0.5 ethylenediamine solvate
;
_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                92.74(3)
_cell_angle_beta                 96.51(3)
_cell_angle_gamma                111.81(3)
_cell_formula_units_Z            2
_cell_length_a                   14.896(3)
_cell_length_b                   16.279(3)
_cell_length_c                   20.375(4)
_cell_measurement_temperature    243(2)
_cell_volume                     4535.8(16)
_diffrn_ambient_temperature      243(2)
_exptl_crystal_density_diffrn    1.717
_refine_ls_R_factor_obs          0.0622
_refine_ls_wR_factor_obs         0.1802
_cod_database_code               8101190
Crystal structure of (+)-(3aS,6aS,1'R)-6-oxo-3-(1'-O-benzyl-1',2'- dihydroxyethyl)-3a,4,6a-tetrahydrofuro[3,4-d]isoxazole, C~14~H~15~NO~5~
Henkel, Sonja; Fengler-Veith, Marion; Jäger, Volker; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 131–132; doi:

data_8101191
_publ_section_title
;
Crystal structure of (+)-(3aS,6aS,1'R)-6-oxo-3-(1'-O-benzyl-1',2'-
dihydroxyethyl)-3a,4,6a-tetrahydrofuro[3,4-d]isoxazole, C~14~H~15~NO~5~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              131
_journal_page_last               132
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C14 H15 N O5'
_chemical_formula_weight         277.3
_chemical_melting_point          358.5(5)
_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                   6.2320(10)
_cell_length_b                   8.4440(10)
_cell_length_c                   26.141(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1375.6(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.339
_refine_ls_R_factor_obs          0.0598
_refine_ls_wR_factor_obs         0.1349
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '358-359' was changed to '358.5(5)' -
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               8101191
Crystal structure of (+)-(4S,5R,2'R,4'S,5'R,1''S)-5-(2''-acetoxy-1''- benzyloxyethyl)-3-(5'-acetoxy-2'-methyl-1',3'-dioxan-4'-yl)-4-(tert- butoxycarbonylamino)-4,5-dihydroisoxazole, C~26~H~36~N~2~O~10~
Henkel, Sonja; Fengler-Veith, Marion; Jäger, Volker; Zeitschrift für Kristallographie - New Crystal Structures 215 (2000) 133–134; doi:

data_8101192
_publ_section_title
;
Crystal structure of (+)-(4S,5R,2'R,4'S,5'R,1''S)-5-(2''-acetoxy-1''-
benzyloxyethyl)-3-(5'-acetoxy-2'-methyl-1',3'-dioxan-4'-yl)-4-(tert-
butoxycarbonylamino)-4,5-dihydroisoxazole, C~26~H~36~N~2~O~10~
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              133
_journal_page_last               134
_journal_volume                  215
_journal_year                    2000
_chemical_formula_sum            'C26 H36 N2 O10'
_chemical_formula_weight         536.6
_chemical_melting_point          366.5(15)
_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                 93.21(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   5.1550(10)
_cell_length_b                   20.146(6)
_cell_length_c                   13.494(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1399.2(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.274
_refine_ls_R_factor_obs          0.0731
_refine_ls_wR_factor_obs         0.1910
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '365-368' was changed to '366.5(15)'
- 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_H-M      'P 21'
_cod_original_formula_sum        ' C26 H36 N2 O10'
_cod_database_code               8101192