LMucko/crystallography-open-database huggingface dataset:
Structure of an indolochinolizine derivative
Harms, K.; Sheldrick, G. M.; Schul, W.; Tietze, L. F.; Acta Crystallographica, Section C: Crystal Structure Communications 42 (1986) 1665–1667; doi:10.1107/S0108270186091023

data_1100283
_publ_section_title
;
 Structure of an indolochinolizine derivative
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   11
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              1665
_journal_page_last               1667
_journal_paper_doi               10.1107/S0108270186091023
_journal_volume                  42
_journal_year                    1986
_chemical_formula_sum            'C23 H29 Cl N4 O3'
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.462(2)
_cell_length_b                   17.405(1)
_cell_length_c                   17.299(2)
_cod_original_formula_sum        'C23 H29 Cl1 N4 O3'
_cod_database_code               1100283
Stereochemistry of a hetero-Diels-Alder product
Harms, K.; Sheldrick, G. M.; Tietze, L.-F.; Acta Crystallographica, Section C: Crystal Structure Communications 42 (1986) 1664–1665; doi:10.1107/S0108270186091035

data_1100284
_publ_section_title
;
 Stereochemistry of a hetero-Diels-Alder product
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   11
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              1664
_journal_page_last               1665
_journal_paper_doi               10.1107/S0108270186091035
_journal_volume                  42
_journal_year                    1986
_chemical_formula_sum            'C16 H16 N2 O4'
_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                   7.779(6)
_cell_length_b                   9.332(3)
_cell_length_c                   19.627(9)
_cod_database_code               1100284
Structure of a cycloheptenone derivative
Harms, K.; Sheldrick, G. M.; Reichert, U.; Tietze, L. F.; Acta Crystallographica, Section C: Crystal Structure Communications 42 (1986) 1662–1663; doi:10.1107/S0108270186091047

data_1100285
_publ_section_title
;
 Structure of a cycloheptenone derivative
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   11
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              1662
_journal_page_last               1663
_journal_paper_doi               10.1107/S0108270186091047
_journal_volume                  42
_journal_year                    1986
_chemical_formula_sum            'C12 H18 O4 S'
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.745(2)
_cell_length_b                   33.451(5)
_cell_length_c                   8.845(2)
_cod_original_formula_sum        'C12 H18 O4 S1'
_cod_database_code               1100285
Structure of an iridoid-like photolysis product
Harms, K.; Jones, P. G.; Sheldrick, G. M.; Acta Crystallographica, Section C: Crystal Structure Communications 42 (1986) 1661–1662; doi:10.1107/S0108270186091059

data_1100286
_publ_section_title
;
 Structure of an iridoid-like photolysis product
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   11
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              1661
_journal_page_last               1662
_journal_paper_doi               10.1107/S0108270186091059
_journal_volume                  42
_journal_year                    1986
_chemical_formula_sum            'C14 H18 O7'
_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                89.98(2)
_cell_angle_beta                 87.90(2)
_cell_angle_gamma                85.07(2)
_cell_formula_units_Z            2
_cell_length_a                   5.615(2)
_cell_length_b                   8.013(1)
_cell_length_c                   16.673(4)
_cod_database_code               1100286
[(α-Cyanobenzyllithium. Tetramethylethylenediamine)~2~. Benzene]: X-ray Structure Analysis of an α-Nitrile "Carbanion"
Boche, Gernot; Marsch, Michael; Harms, Klaus; Angewandte Chemie, International Edition in English 25 (1986) 373–374; doi:10.1002/anie.198603731

data_1100287
_publ_section_title
;
 [(\a-Cyanobenzyllithium. Tetramethylethylenediamine)~2~. Benzene]:
 X-ray Structure Analysis of an \a-Nitrile "Carbanion"
;
_journal_coden_ASTM              ACIEAY
_journal_issue                   4
_journal_name_full
;
 Angewandte Chemie, International Edition in English
;
_journal_page_first              373
_journal_page_last               374
_journal_paper_doi               10.1002/anie.198603731
_journal_volume                  25
_journal_year                    1986
_chemical_formula_sum            'C34 H50 Li2 N6'
_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                 99.46(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.680(2)
_cell_length_b                   15.834(4)
_cell_length_c                   24.029(6)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1100287
[(α-Cyanobenzyllithium. Tetramethylethylenediamine)~2~. Benzene]: X-ray Structure Analysis of an α-Nitrile "Carbanion"
Boche, Gernot; Marsch, Michael; Harms, Klaus; Angewandte Chemie, International Edition in English 25 (1986) 373–374; doi:10.1002/anie.198603731

data_1100288
_publ_section_title
;
 [(\a-Cyanobenzyllithium. Tetramethylethylenediamine)~2~. Benzene]:
 X-ray Structure Analysis of an \a-Nitrile "Carbanion"
;
_journal_coden_ASTM              ACIEAY
_journal_issue                   4
_journal_name_full
;
 Angewandte Chemie, International Edition in English
;
_journal_page_first              373
_journal_page_last               374
_journal_paper_doi               10.1002/anie.198603731
_journal_volume                  25
_journal_year                    1986
_chemical_formula_sum            'C34 H50 Li2 N6'
_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                 99.43(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.689(2)
_cell_length_b                   15.699(4)
_cell_length_c                   23.914(6)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1100288
Intra- and intermolecular hetero-Diels-Alder reactions. 15. Asymmetric induction in Grignard and hetero-Diels-Alder reactions of chiral α,β-unsaturated carbonyl compounds
Tietze, Lutz F.; Brand, Siegbert; Pfeiffer, Thomas; Antel, Jochen; Harms, Klaus; Sheldrick, George M.; Journal of the American Chemical Society 109 (1987) 921–923; doi:10.1021/ja00237a060

data_1100289
_publ_section_title
;
 Intra- and intermolecular hetero-Diels-Alder reactions.
 15. Asymmetric induction in Grignard and hetero-Diels-Alder
 reactions of chiral \a,\b-unsaturated carbonyl compounds
;
_journal_coden_ASTM              JACSAT
_journal_issue                   3
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              921
_journal_page_last               923
_journal_paper_doi               10.1021/ja00237a060
_journal_volume                  109
_journal_year                    1987
_chemical_formula_sum            'C20 H19 N O3'
_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
_cell_angle_beta                 101.93(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.191(1)
_cell_length_b                   16.567(2)
_cell_length_c                   11.465(4)
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C20 H19 N1 O3'
_cod_database_code               1100289
[α-(Phenylsulfinyl)-α-methylbenzyllithium-tetramethylethylenediamine]~2~: Crystal Structure of an α-Sulfinyl "Carbanion"
Marsch, Michael; Massa, Werner; Baum, Gerhard; Boche, Gernot; Harms, Klaus; Angewandte Chemie, International Edition in English 25 (1986) 1011–1012; doi:10.1002/anie.198610111

data_1100290
_publ_section_title
;
 [\a-(Phenylsulfinyl)-\a-methylbenzyllithium-tetramethylethylenediamine]~2~:
 Crystal Structure of an \a-Sulfinyl "Carbanion"
;
_journal_coden_ASTM              ACIEAY
_journal_issue                   11
_journal_name_full
;
 Angewandte Chemie, International Edition in English
;
_journal_page_first              1011
_journal_page_last               1012
_journal_paper_doi               10.1002/anie.198610111
_journal_volume                  25
_journal_year                    1986
_chemical_formula_sum            'C40 H58 Li2 N4 O2 S2'
_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
_cell_angle_beta                 96.59(5)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   38.55(2)
_cell_length_b                   12.015(6)
_cell_length_c                   18.13(1)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1100290
Crystal Structure of the η^1^-Allyl-Grignard Compound Bis(allylmagnesium chloride-TMEDA)
Marsch, Michael; Harms, Klaus; Massa, Werner; Boche, Gernot; Angewandte Chemie, International Edition in English 26 (1987) 696–697; doi:10.1002/anie.198706961

data_1100291
_publ_section_title
;
 Crystal Structure of the \h^1^-Allyl-Grignard Compound Bis(allylmagnesium
 chloride-TMEDA)
;
_journal_coden_ASTM              ACIEAY
_journal_issue                   7
_journal_name_full
;
 Angewandte Chemie, International Edition in English
;
_journal_page_first              696
_journal_page_last               697
_journal_paper_doi               10.1002/anie.198706961
_journal_volume                  26
_journal_year                    1987
_chemical_formula_sum            'C18 H42 Cl2 Mg2 N4'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_H-M   'P 21/n'
_cell_angle_alpha                90
_cell_angle_beta                 92.58(1)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.445(1)
_cell_length_b                   11.020(1)
_cell_length_c                   13.504(1)
_cod_database_code               1100291
Methyl (1S,5S,6S,7R)-6-formyl-7-methyl-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylate
Harms, K.; Jones, P. G.; Sheldrick, G. M.; Tietze, L. F.; Uzar, H. C.; Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry 36 (1980) 3156–3157; doi:10.1107/S0567740880011120

data_1100292
_publ_section_title
;
 Methyl (1S,5S,6S,7R)-6-formyl-7-methyl-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylate
;
_journal_coden_ASTM              ACBCAR
_journal_issue                   12
_journal_name_full
;
 Acta Crystallographica, Section B: Structural Crystallography
 and Crystal Chemistry
;
_journal_page_first              3156
_journal_page_last               3157
_journal_paper_doi               10.1107/S0567740880011120
_journal_volume                  36
_journal_year                    1980
_chemical_formula_sum            'C11 H14 O5'
_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                   8.116(4)
_cell_length_b                   9.684(4)
_cell_length_c                   13.998(6)
_cod_database_code               1100292
Carbene complexes in intramolecular Diels-Alder reactions
Dötz, K. H.; Noack, R.; Harms, K.; Müller, G.; Tetrahedron 46 (1990) 1235–1252; doi:10.1016/s0040-4020(01)86689-8

data_1100293
_publ_section_title
;
 Carbene complexes in intramolecular Diels-Alder reactions
;
_journal_coden_ASTM              TETRAB
_journal_issue                   4
_journal_name_full               Tetrahedron
_journal_page_first              1235
_journal_page_last               1252
_journal_paper_doi               10.1016/s0040-4020(01)86689-8
_journal_volume                  46
_journal_year                    1990
_chemical_formula_sum            'C21 H19 N O6 W'
_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                109.50(1)
_cell_angle_beta                 108.06(1)
_cell_angle_gamma                98.94(1)
_cell_formula_units_Z            2
_cell_length_a                   8.886(1)
_cell_length_b                   10.706(1)
_cell_length_c                   12.807(1)
_cod_original_formula_sum        'C21 H19 N1 O6 W1'
_cod_database_code               1100293
X-Ray Structure Analysis of the Li~2~-Compound of Bis(trimethylsilyl)metnyl Phenyl Sulfone; Structural Units of an α-Sulfonyl- and a Complex-Stabilizedortho-Sulfonyl-"Carbanion"
Hollstein, Werner; Harms, Klaus; Marsch, Michael; Boche, Gernot; Angewandte Chemie, International Edition in English 26 (1987) 1287–1288; doi:10.1002/anie.198712871

data_1100294
_publ_section_title
;
 X-Ray Structure Analysis of the Li~2~-Compound of Bis(trimethylsilyl)metnyl
 Phenyl Sulfone; Structural Units of an \a-Sulfonyl- and a
 Complex-Stabilizedortho-Sulfonyl-"Carbanion"
;
_journal_coden_ASTM              ACIEAY
_journal_issue                   12
_journal_name_full
;
 Angewandte Chemie, International Edition in English
;
_journal_page_first              1287
_journal_page_last               1288
_journal_paper_doi               10.1002/anie.198712871
_journal_volume                  26
_journal_year                    1987
_chemical_formula_sum            'C42 H84 Li4 O8 S2 Si4'
_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                 112.66(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.195(3)
_cell_length_b                   21.374(5)
_cell_length_c                   12.619(3)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1100294
Annelation of Carbene Ligands by λ^3^-Phosphaalkynes, an Entry to Functionalized Phosphaarenes
Dötz, Karl Heinz; Tiriliomis, Athanassios; Harms, Klaus; Regitz, Manfred; Annen, Ulrich; Angewandte Chemie, International Edition in English 27 (1988) 713–714; doi:10.1002/anie.198807131

data_1100295
_publ_section_title
;
 Annelation of Carbene Ligands by \l^3^-Phosphaalkynes, an Entry to
 Functionalized Phosphaarenes
;
_journal_coden_ASTM              ACIEAY
_journal_issue                   5
_journal_name_full
;
 Angewandte Chemie, International Edition in English
;
_journal_page_first              713
_journal_page_last               714
_journal_paper_doi               10.1002/anie.198807131
_journal_volume                  27
_journal_year                    1988
_chemical_formula_sum            'C21 H19 Cr O5 P'
_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                 102.33
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.334(3)
_cell_length_b                   11.834(1)
_cell_length_c                   16.445(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C21 H19 Cr1 O5 P1'
_cod_database_code               1100295
X-ray structure determination of [1-cyano-2,.2-dimtheylcyclopropyllithium·tetrahydrofuran]~∞~: a tetrahedral anionic α-cyano carbon atom
Boche, Gernot; Harms, Klaus; Marsch, Michael; Journal of the American Chemical Society 110 (1988) 6925–6926; doi:10.1021/ja00228a073

data_1100296
_publ_section_title
;
 X-ray structure determination of
 [1-cyano-2,.2-dimtheylcyclopropyllithium&#x00B7;tetrahydrofuran]~\\infty ~:
 a tetrahedral anionic \a-cyano carbon atom
;
_journal_coden_ASTM              JACSAT
_journal_issue                   20
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6925
_journal_page_last               6926
_journal_paper_doi               10.1021/ja00228a073
_journal_volume                  110
_journal_year                    1988
_chemical_formula_sum            'C10 H16 Li N O'
_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                 93.18(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.493(3)
_cell_length_b                   9.567(2)
_cell_length_c                   19.636(3)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C10 H16 Li1 N1 O1'
_cod_database_code               1100296
Stereoselective cyanohydrin-forming reactions of chiral α-amino aldehydes
Reetz, M. T.; Drewes, M. W.; Harms, K.; Reif, W.; Tetrahedron Letters 29 (1988) 3295–3298; doi:10.1016/0040-4039(88)85144-X

data_1100297
_publ_section_title
;
 Stereoselective cyanohydrin-forming reactions of chiral \a-amino aldehydes
;
_journal_coden_ASTM              TELEAY
_journal_issue                   27
_journal_name_full               'Tetrahedron Letters'
_journal_page_first              3295
_journal_page_last               3298
_journal_paper_doi               10.1016/0040-4039(88)85144-X
_journal_volume                  29
_journal_year                    1988
_chemical_formula_sum            'C24 H24 N2 O'
_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                96.30(1)
_cell_angle_beta                 105.52(1)
_cell_angle_gamma                106.17(1)
_cell_formula_units_Z            2
_cell_length_a                   8.225(2)
_cell_length_b                   10.598(2)
_cell_length_c                   12.754(2)
_cod_original_formula_sum        'C24 H24 N2 O1'
_cod_database_code               1100297
Reaktionen von Komplexliganden: XXXIV. Tetracarbonyl-Carben-Chelatkomplexe des Chroms, Molybdäns und Wolframs
Dötz, Karl Heinz; Erben, Hans-Georg; Staudacher, Wolfgang; Harms, Klaus; Müller, Gerhard; Riede, Jürgen; Journal of Organometallic Chemistry 355 (1988) 177–191; doi:10.1016/0022-328x(88)89020-x

data_1100298
_publ_section_title
;
 Reaktionen von Komplexliganden: XXXIV. Tetracarbonyl-Carben-Chelatkomplexe
 des Chroms, Molybd\"ans und Wolframs
;
_journal_coden_ASTM              JORCAI
_journal_issue                   1-3
_journal_name_full               'Journal of Organometallic Chemistry'
_journal_page_first              177
_journal_page_last               191
_journal_paper_doi               10.1016/0022-328x(88)89020-x
_journal_volume                  355
_journal_year                    1988
_chemical_formula_sum            'C17 H13 Cr N O6'
_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                 98.60(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.786(1)
_cell_length_b                   10.649(1)
_cell_length_c                   16.435(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C17 H13 Cr1 N1 O6'
_cod_database_code               1100298
Reaktionen von Komplexliganden: XXXIV. Tetracarbonyl-Carben-Chelatkomplexe des Chroms, Molybdäns und Wolframs
Dötz, Karl Heinz; Erben, Hans-Georg; Staudacher, Wolfgang; Harms, Klaus; Müller, Gerhard; Riede, Jürgen; Journal of Organometallic Chemistry 355 (1988) 177–191; doi:10.1016/0022-328x(88)89020-x

data_1100299
_publ_section_title
;
 Reaktionen von Komplexliganden: XXXIV. Tetracarbonyl-Carben-Chelatkomplexe
 des Chroms, Molybd\"ans und Wolframs
;
_journal_coden_ASTM              JORCAI
_journal_issue                   1-3
_journal_name_full               'Journal of Organometallic Chemistry'
_journal_page_first              177
_journal_page_last               191
_journal_paper_doi               10.1016/0022-328x(88)89020-x
_journal_volume                  355
_journal_year                    1988
_chemical_formula_sum            'C13 H10 Cr O5 S'
_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                73.08(2)
_cell_angle_beta                 72.89(2)
_cell_angle_gamma                77.19(2)
_cell_formula_units_Z            2
_cell_length_a                   7.477(1)
_cell_length_b                   9.591(1)
_cell_length_c                   11.090(1)
_cod_original_formula_sum        'C13 H10 Cr1 O5 S1'
_cod_database_code               1100299