Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1100239 | CIF | C139.5 H126 N6 P6 Rb6 | P -1 | 15.2552; 19.0288; 21.783 95.435; 91.145; 90.448 | 6293.36 | T.Grob; K.Harms; K.Dehnicke Z.Anorg.Allg.Chem., 2000, 626, 1065 |
| 1100240 | CIF | C108.5 H128.5 Cs4 N4 P4 | F d -3 :2 | 26.7973; 26.7973; 26.7973 90; 90; 90 | 19243 | T.Grob; K.Harms; K.Dehnicke Z.Anorg.Allg.Chem., 2000, 626, 1065 |
| 1100241 | CIF | C86 H76 Cs4 N4 P4 | P 1 21/n 1 | 14.1888; 22.5891; 24.9759 90; 91.055; 90 | 8003.72 | T.Grob; K.Harms; K.Dehnicke Z.Anorg.Allg.Chem., 2000, 626, 1065 |
| 1100242 | CIF | C17 H19 N S | P 1 21 1 | 9.56; 18.546; 9.671 90; 119; 90 | 1499.68 | Hoffmann, Reinhard W.; Hölzer, Bettina; Knopff, Oliver; Harms, Klaus Asymmetric Synthesis of a Chiral Secondary Grignard Reagent Angewandte Chemie, International Edition, 2000, 39, 3072-3074 |
| 1100243 | CIF | C16 H23 N O3 | P 1 21/c 1 | 13.318; 6.836; 17.3181 90; 96.045; 90 | 1567.91 | Bach, Thorsten; Brummerhop, Harm; Harms, Klaus The Synthesis of (+)-Preussin and Related Pyrrolidinols by Diastereoselective Paternò-Büchi Reactions of Chiral 2-Substituted 2,3-Dihydropyrroles Chemistry - A European Journal, 2000, 6, 3838-3848 |
| 1100244 | CIF | C19 H23 N O | P 1 21 1 | 11.657; 5.3217; 13.483 90; 107.81; 90 | 796.334 | Bach, Thorsten; Brummerhop, Harm; Harms, Klaus The Synthesis of (+)-Preussin and Related Pyrrolidinols by Diastereoselective Paternò-Büchi Reactions of Chiral 2-Substituted 2,3-Dihydropyrroles Chemistry - A European Journal, 2000, 6, 3838-3848 |
| 1100245 | CIF | C21 H29 N O3 | P 1 21/c 1 | 13.514; 12.213; 12.644 90; 101.74; 90 | 2043.19 | Bach, Thorsten; Schlummer, Björn; Harms, Klaus Intramolecular Iron(II)-Catalyzed Addition Reactions of Propargyloxycarbonyl Azides Synlett, 2000, 2000, 1330-1332 |
| 1100246 | CIF | C56 H72 Li2 N4 O8 S2 | P -1 | 11.738; 12.401; 12.538 115.51; 95.46; 115.22 | 1400.66 | K.Harms; M.Marsch; G.Boche Private Communication, 2001 |
| 1100247 | CIF | C14 H26 O2 | P -1 | 6.9896; 10.791; 10.8567 112.96; 102.224; 99.372 | 708.959 | K.Harms Private Communication, 2001 |
| 1100248 | CIF | C28 H38 O8 | P 1 21/n 1 | 7.8808; 15.3984; 11.8722 90; 108.801; 90 | 1363.84 | K.Harms Private Communication, 2001 |
| 1100249 | CIF | C21 H29 N O3 | P 21 21 21 | 7.2624; 8.541; 30.4681 90; 90; 90 | 1889.88 | Bach, Thorsten; Bergmann, Hermann; Harms, Klaus Enantioselective Photochemical Reactions of 2-Pyridones in Solution Organic Letters, 2001, 3, 601-603 |
| 1100250 | CIF | C28 H50 O8 | P 21 21 21 | 10.0153; 16.3832; 17.871 90; 90; 90 | 2932.32 | K.Harms Private Communication, 2002 |
| 1100253 | CIF | C58 H55 Cl3 N3 O P3 Zr | P -1 | 12.0935; 14.8079; 18.142 71.203; 71.216; 74.401 | 2861.91 | Gröb, Thorsten; Geiseler, Gertraud; Harms, Klaus; Greiner, Andreas; Dehnicke, Kurt Phosphaniminato-Komplexe des Zirconiums: Die Kristallstrukturen von [ZrCl~3~(NPPh~3~)(HNPPh~3~)~2~] und [ZrCl~2~(NPPh~3~)~2~(HNPPh~3~)~2~] Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 217-221 |
| 1100254 | CIF | C72 H62 Cl2 N4 P4 Zr | P -1 | 14.4757; 19.257; 24.57 67.317; 87.376; 87.103 | 6308.69 | Gröb, Thorsten; Geiseler, Gertraud; Harms, Klaus; Greiner, Andreas; Dehnicke, Kurt Phosphaniminato-Komplexe des Zirconiums: Die Kristallstrukturen von [ZrCl~3~(NPPh~3~)(HNPPh~3~)~2~] und [ZrCl~2~(NPPh~3~)~2~(HNPPh~3~)~2~] Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 217-221 |
| 1100255 | CIF | C72 H132 K4 N4 P4 | P -1 | 13.8983; 14.0806; 22.052 78.952; 81.215; 66.232 | 3862.57 | Gröb, Thorsten; Chitsaz, Soheila; Harms, Klaus; Dehnicke, Kurt Phosphaniminate von Alkalimetallen: Die Kristallstrukturen von [KNPCy~3~]~4~, [KNPCy~3~]~4~·2OPCy~3~, [CsNPCy~3~]~4~·4OPCy~3~ und [Li~4~(NPPh~3~)(OSiMe~2~NPPh~3~)~3~(DME)] Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 473-479 |
| 1100256 | CIF | C108 H198 K4 N4 O2 P6 | P b c n | 29.4359; 20.482; 18.9377 90; 90; 90 | 11417.7 | Gröb, Thorsten; Chitsaz, Soheila; Harms, Klaus; Dehnicke, Kurt Phosphaniminate von Alkalimetallen: Die Kristallstrukturen von [KNPCy~3~]~4~, [KNPCy~3~]~4~·2OPCy~3~, [CsNPCy~3~]~4~·4OPCy~3~ und [Li~4~(NPPh~3~)(OSiMe~2~NPPh~3~)~3~(DME)] Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 473-479 |
| 1100257 | CIF | C144 H264 Cs4 N4 O4 P8 | C m c 21 | 28.8161; 29.9021; 18.837 90; 90; 90 | 16231.1 | Gröb, Thorsten; Chitsaz, Soheila; Harms, Klaus; Dehnicke, Kurt Phosphaniminate von Alkalimetallen: Die Kristallstrukturen von [KNPCy~3~]~4~, [KNPCy~3~]~4~·2OPCy~3~, [CsNPCy~3~]~4~·4OPCy~3~ und [Li~4~(NPPh~3~)(OSiMe~2~NPPh~3~)~3~(DME)] Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 473-479 |
| 1100258 | CIF | C84 H93 Li4 N4 O6 P4 Si3 | R -3 c :H | 15.835; 15.835; 117.553 90; 90; 120 | 25527 | Gröb, Thorsten; Chitsaz, Soheila; Harms, Klaus; Dehnicke, Kurt Phosphaniminate von Alkalimetallen: Die Kristallstrukturen von [KNPCy~3~]~4~, [KNPCy~3~]~4~·2OPCy~3~, [CsNPCy~3~]~4~·4OPCy~3~ und [Li~4~(NPPh~3~)(OSiMe~2~NPPh~3~)~3~(DME)] Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 473-479 |
| 1100259 | CIF | C16 H23 N3 O5 | P 1 21 1 | 10.8874; 11.2061; 14.4504 90; 108.246; 90 | 1674.38 | Gündisch, Daniela; Harms, Klaus; Schwarz, Simone; Seitz, Gunther; Stubbs, Milton T.; Wegge, Thomas Synthesis and evaluation of diazine containing bioisosteres of (‒)-ferruginine as ligands for nicotinic acetylcholine receptors Bioorganic & Medicinal Chemistry, 2001, 9, 2683-2691 |
| 1100260 | CIF | C56 H52 I N3 Na O0.5 P3 | P -3 c 1 | 15.3323; 15.3323; 25.4556 90; 90; 120 | 5182.37 | Gröb, Thorsten; Müller, Christoph; Massa, W.; Miekisch, Thomas; Seybert, Gert; Harms, Klaus; Dehnicke, Kurt Die Kristallstrukturen der Phosphanimin-Komplexe [NaI(HNPPh~3~)~3~] und [SrI~2~(HNPPh~3~)~2~(THF)~2~] sowie des Natrium-triphenylphosphaniminats [NaNPPh~3~]~6~ Zeitschrift fuer Anorganische und Allgemeine Chemie, 2001, 627, 2191-2197 |
| 1100261 | CIF | C115 H98 N6 Na6 P6 | P -1 | 14.5708; 14.8493; 15.0272 116.32; 115.358; 93.585 | 2502.37 | Gröb, Thorsten; Müller, Christoph; Massa, W.; Miekisch, Thomas; Seybert, Gert; Harms, Klaus; Dehnicke, Kurt Die Kristallstrukturen der Phosphanimin-Komplexe [NaI(HNPPh~3~)~3~] und [SrI~2~(HNPPh~3~)~2~(THF)~2~] sowie des Natrium-triphenylphosphaniminats [NaNPPh~3~]~6~ Zeitschrift fuer Anorganische und Allgemeine Chemie, 2001, 627, 2191-2197 |
| 1100262 | CIF | C52 H64 I2 N2 O4 P2 Sr | P -1 | 10.4289; 13.3744; 20.9511 90.13; 96.31; 111.985 | 2690.36 | Gröb, Thorsten; Müller, Christoph; Massa, W.; Miekisch, Thomas; Seybert, Gert; Harms, Klaus; Dehnicke, Kurt Die Kristallstrukturen der Phosphanimin-Komplexe [NaI(HNPPh~3~)~3~] und [SrI~2~(HNPPh~3~)~2~(THF)~2~] sowie des Natrium-triphenylphosphaniminats [NaNPPh~3~]~6~ Zeitschrift fuer Anorganische und Allgemeine Chemie, 2001, 627, 2191-2197 |
| 1100263 | CIF | C25 H52 B N O3 Si | P 1 21/n 1 | 14.684; 9.355; 22.515 90; 101.68; 90 | 3028.82 | Kocienski, P.; Marsch, M.; Harms, K.; Boche, G. A vinylic α-carbamoyloxy boran with a carbenoid-type bonding situation Acta Crystallographica Section E, 2002, 58, o336-o337 |
| 1100264 | CIF | C13 H13 N O S | P 21 21 21 | 5.753; 8.297; 25.098 90; 90; 90 | 1197.99 | Reichardt, Christian; Erfurt, Hans-Peter; Harms, Klaus; Schäfer, Gerhard Syntheses, Absolute Configurations, and UV/Vis Spectroscopic Properties of New Chiral Tri- and Pentamethinium Streptocyanine Dyes with 4-Aminophenyl 4-Methylphenyl Sulfoxide Endgroups European Journal of Organic Chemistry, 2002, 2002, 439-452 |
| 1100265 | CIF | C29 H33 Br N2 O5 S2 | P 1 21 1 | 5.4024; 16.4819; 33.13 90; 91.4; 90 | 2949.07 | Reichardt, Christian; Erfurt, Hans-Peter; Harms, Klaus; Schäfer, Gerhard Syntheses, Absolute Configurations, and UV/Vis Spectroscopic Properties of New Chiral Tri- and Pentamethinium Streptocyanine Dyes with 4-Aminophenyl 4-Methylphenyl Sulfoxide Endgroups European Journal of Organic Chemistry, 2002, 2002, 439-452 |
| 1100266 | CIF | C29 H26 N2 O2 S2 | P 1 21 1 | 7.9433; 7.26; 21.921 90; 92.11; 90 | 1263.29 | Reichardt, Christian; Erfurt, Hans-Peter; Harms, Klaus; Schäfer, Gerhard Syntheses, Absolute Configurations, and UV/Vis Spectroscopic Properties of New Chiral Tri- and Pentamethinium Streptocyanine Dyes with 4-Aminophenyl 4-Methylphenyl Sulfoxide Endgroups European Journal of Organic Chemistry, 2002, 2002, 439-452 |
| 1100267 | CIF | C23 H38 N P | P 1 21/c 1 | 7.7683; 22.196; 12.8267 90; 91.138; 90 | 2211.21 | Kotov, V. V.; Avtomonov, E. V.; Sundermeyer, J.; Harms, K.; Lemenovskii, D. A. Alkyl(amino)- and Alkyl(chloro)phosphanyl-Substituted Cyclopentadienyl Complexes of Titanium and Zirconium European Journal of Inorganic Chemistry, 2002, 2002, 678-691 |
| 1100268 | CIF | C17 H31 Cl3 N P Ti | P 1 21/c 1 | 9.351; 15.6371; 14.7317 90; 91.387; 90 | 2153.48 | Kotov, V. V.; Avtomonov, E. V.; Sundermeyer, J.; Harms, K.; Lemenovskii, D. A. Alkyl(amino)- and Alkyl(chloro)phosphanyl-Substituted Cyclopentadienyl Complexes of Titanium and Zirconium European Journal of Inorganic Chemistry, 2002, 2002, 678-691 |
| 1100269 | CIF | C54 H82 N9 O6.5 | P 1 | 9.3553; 15.9882; 19.585 103.119; 90.298; 102.334 | 2782.6 | Hoffmann, Reinhard W.; Hettche, Frank; Harms, Klaus Energies and selectivities for anion binding as a function of host conformational preorganisation Chemical Communications (Cambridge, United Kingdom), 2002, 782-783 |
| 1100272 | CIF | C35 H62 Li N O3 | P 1 21/c 1 | 9.1764; 13.1644; 30.036 90; 95.112; 90 | 3613.97 | Bosold, F.; Marsch, M.; Harms, K.; Boche, G. Crystal structure of (3THF)-N-lithiium-N-(2',4',6'-tris-t-butyl-phenyl)-E'pentene(1)-amide, C~35~H~62~LiNO~3~ Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 427-428 |
| 1100273 | CIF | C21 H29 Ga O4 Si2 | P -1 | 9.61; 10.605; 13.459 88.11; 73.33; 66.56 | 1200.43 | Uhl, W.; Prott, M.; Geiseler, G.; Harms, K. Gallium-Gallium Single Bonds Terminally Coordinated by Tropolonato Ligands Zeitschrift für Naturforschung B, 2002, 57, 141-144 |
| 1100274 | CIF | C28 H48 Ga2 O4 Si4 | P 1 21/c 1 | 10.242; 13.28; 13.844 90; 111.47; 90 | 1752.31 | Uhl, W.; Prott, M.; Geiseler, G.; Harms, K. Gallium-Gallium Single Bonds Terminally Coordinated by Tropolonato Ligands Zeitschrift für Naturforschung B, 2002, 57, 141-144 |
| 1100275 | CIF | C10 H14 O4 | P 1 21/n 1 | 12.799; 5.977; 13.083 90; 104.36; 90 | 969.57 | Tietze, Lutz-F.; Glüsenkamp, Karl-Heinz; Harms, Klaus; Remberg, Gert; Sheldrick, George M. Diels-alder reactions of malondialdehyde derivatives with reversed electron demand; an easy approach to structurally unique carbohydrates and compounds of the thromboxane type Tetrahedron Letters, 1982, 23, 1147-1150 |
| 1100276 | CIF | C17 H23 Br O2 | P -1 | 7.378; 9.74; 11.406 80.83; 81.26; 81.88 | 794.01 | Harms, K.; Jones, P. G.; Sheldrick, G. M. (6aRS,9RS,10aRS)-4-Bromo-1-methoxy-6,6,9-trimethyl-6a,7,8,9,10,10a-hexahydro-6H-dibenzo[b,d]pyran Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry, 1980, 36, 3157-3159 |
| 1100277 | CIF | C19 H24 O8 | P 21 21 21 | 6.056; 14.434; 21.298 90; 90; 90 | 1861.71 | Harms, K.; Sheldrick, G. M.; Glüsenkamp, K.-H.; Tietze, L.-F. An enantiospecific hetero Diels-Alder product Acta Crystallographica, Section C: Crystal Structure Communications, 1986, 42, 1268-1269 |
| 1100278 | CIF | C2 As F9 S2 | P m m n :2 | 7.649; 8.317; 6.903 90; 90; 90 | 439.15 | Antel, Jochen; Harms, Klaus; Jones, Peter G.; Mews, Rüdiger; Sheldrick, George M.; Waterfeld, Alfred Kristallstruktur von 2,4,4-Trifluor-1,3-dithietan-2-ylium-hexafluoroarsenat Chemische Berichte, 1985, 118, 5006-5008 |
| 1100279 | CIF | C38 H56 Li2 N4 O4 S2 | P n a 21 | 17.051; 10.017; 23.759 90; 90; 90 | 4058.03 | Boche, Gernot; Marsch, Michael; Harms, Klaus; Sheldrick, George M. X-Ray Structure Determination of [α-(Phenylsulfonyl)benzyllithium-Tetramethylethylenediamine]~2~: Chirality of an α-Sulfonyl "Carbanion" Angewandte Chemie, International Edition in English, 1985, 24, 573-575 |
| 1100280 | CIF | C13 H9 N O5 | P -1 | 7.578; 7.829; 10.151 77.18; 87.42; 83.75 | 583.6 | Tietze, Lutz F.; Voß, Edgar; Harms, Klaus; Sheldrick, George M. Hetero-diels-alder reaction of enaminecarbaldehydes an entry to branched aminosugars Tetrahedron Letters, 1985, 26, 5273-5276 |
| 1100281 | CIF | C30 H32 N4 O4 | P -1 | 10.34; 10.809; 13.613 97.53; 101.65; 113.84 | 1324.01 | Harms, K.; Sheldrick, G. M.; Brüggemann, K.; Tietze, L. F. Structure of an unexpected indole photolysis product Acta Crystallographica, Section C: Crystal Structure Communications, 1986, 42, 1264-1266 |
| 1100282 | CIF | C31 H32 O7 | P 21 21 21 | 8.424; 14.773; 22.165 90; 90; 90 | 2758.38 | Harms, K.; Sheldrick, G. M.; Glüsenkamp, K. H.; Tietze, L. F. Structure of a photolysis product Acta Crystallographica, Section C: Crystal Structure Communications, 1986, 42, 1269-1271 |
| 1100283 | CIF | C23 H29 Cl N4 O3 | P b c a | 14.462; 17.405; 17.299 90; 90; 90 | 4354.35 | Harms, K.; Sheldrick, G. M.; Schul, W.; Tietze, L. F. Structure of an indolochinolizine derivative Acta Crystallographica, Section C: Crystal Structure Communications, 1986, 42, 1665-1667 |
| 1100284 | CIF | C16 H16 N2 O4 | P 21 21 21 | 7.779; 9.332; 19.627 90; 90; 90 | 1424.8 | Harms, K.; Sheldrick, G. M.; Tietze, L.-F. Stereochemistry of a hetero-Diels-Alder product Acta Crystallographica, Section C: Crystal Structure Communications, 1986, 42, 1664-1665 |
| 1100285 | CIF | C12 H18 O4 S | P b c a | 8.745; 33.451; 8.845 90; 90; 90 | 2587.42 | Harms, K.; Sheldrick, G. M.; Reichert, U.; Tietze, L. F. Structure of a cycloheptenone derivative Acta Crystallographica, Section C: Crystal Structure Communications, 1986, 42, 1662-1663 |
| 1100286 | CIF | C14 H18 O7 | P -1 | 5.615; 8.013; 16.673 89.98; 87.9; 85.07 | 746.89 | Harms, K.; Jones, P. G.; Sheldrick, G. M. Structure of an iridoid-like photolysis product Acta Crystallographica, Section C: Crystal Structure Communications, 1986, 42, 1661-1662 |
| 1100287 | CIF | C34 H50 Li2 N6 | P 1 21/n 1 | 9.68; 15.834; 24.029 90; 99.46; 90 | 3632.91 | Boche, Gernot; Marsch, Michael; Harms, Klaus [(α-Cyanobenzyllithium. Tetramethylethylenediamine)~2~. Benzene]: X-ray Structure Analysis of an α-Nitrile "Carbanion" Angewandte Chemie, International Edition in English, 1986, 25, 373-374 |
| 1100288 | CIF | C34 H50 Li2 N6 | P 1 21/n 1 | 9.689; 15.699; 23.914 90; 99.43; 90 | 3588.35 | Boche, Gernot; Marsch, Michael; Harms, Klaus [(α-Cyanobenzyllithium. Tetramethylethylenediamine)~2~. Benzene]: X-ray Structure Analysis of an α-Nitrile "Carbanion" Angewandte Chemie, International Edition in English, 1986, 25, 373-374 |
| 1100289 | CIF | C20 H19 N O3 | P 1 21 1 | 9.191; 16.567; 11.465 90; 101.93; 90 | 1708.04 | Tietze, Lutz F.; Brand, Siegbert; Pfeiffer, Thomas; Antel, Jochen; Harms, Klaus; Sheldrick, George M. Intra- and intermolecular hetero-Diels-Alder reactions. 15. Asymmetric induction in Grignard and hetero-Diels-Alder reactions of chiral α,β-unsaturated carbonyl compounds Journal of the American Chemical Society, 1987, 109, 921-923 |
| 1100290 | CIF | C40 H58 Li2 N4 O2 S2 | C 1 2/c 1 | 38.55; 12.015; 18.13 90; 96.59; 90 | 8341.94 | Marsch, Michael; Massa, Werner; Baum, Gerhard; Boche, Gernot; Harms, Klaus [α-(Phenylsulfinyl)-α-methylbenzyllithium-tetramethylethylenediamine]~2~: Crystal Structure of an α-Sulfinyl "Carbanion" Angewandte Chemie, International Edition in English, 1986, 25, 1011-1012 |
| 1100291 | CIF | C18 H42 Cl2 Mg2 N4 | P 21/n | 8.445; 11.02; 13.504 90; 92.58; 90 | 1255.46 | Marsch, Michael; Harms, Klaus; Massa, Werner; Boche, Gernot Crystal Structure of the η^1^-Allyl-Grignard Compound Bis(allylmagnesium chloride-TMEDA) Angewandte Chemie, International Edition in English, 1987, 26, 696-697 |
| 1100292 | CIF | C11 H14 O5 | P 21 21 21 | 8.116; 9.684; 13.998 90; 90; 90 | 1100.18 | Harms, K.; Jones, P. G.; Sheldrick, G. M.; Tietze, L. F.; Uzar, H. C. Methyl (1S,5S,6S,7R)-6-formyl-7-methyl-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylate Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry, 1980, 36, 3156-3157 |
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