Information card for entry 8100015

Structure parameters

• Formula: C15 H22 N O2
• Calculated formula: C15 H22 N O2
• SMILES: O=C(N1[C@@H](C[C@@](O)([C@@H]2C=CCC=C12)C)C(C)C)C
• Title of publication: Crystal structure of (2RS,4SR,4aSR)-1-acetyl-2-(1-methylethyl)-4-hydroxy- 4-methyl-1,2,3,4,4a,7-hexahydroquinoline, C~15~H~22~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: 53 - 54
• a: 9.6435 ± 0.0013 Å
• b: 8.75 ± 0.0011 Å
• c: 16.666 ± 0.002 Å
• α: 90°
• β: 103.733 ± 0.002°
• γ: 90°
• Cell volume: 1366.1 ± 0.3 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 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