Information card for entry 8100016

Structure parameters

• Formula: C13 H19 N O2
• Calculated formula: C13 H19 N O2
• SMILES: N1(CC[C@@](O)([C@@H]2C=CCC(=C12)C)C)C(=O)C.N1(CC[C@](O)([C@H]2C=CCC(=C12)C)C)C(=O)C
• Title of publication: Crystal structure of (4SR,4aSR)-1-acetyl-4-hydroxy-4,8-dimethyl-1, 2,3,4,4a,7-hexahydroquinoline, C~13~H~19~NO~2~
• Authors of publication: Gross, S.; Brüdgam, I.; Hartl, H.; Reißig, H.-U.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 1
• Pages of publication: 55 - 56
• a: 8.399 ± 0.002 Å
• b: 17.386 ± 0.005 Å
• c: 9.043 ± 0.002 Å
• α: 90°
• β: 113.872 ± 0.004°
• γ: 90°
• Cell volume: 1207.6 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No