Information card for entry 8101374

Structure parameters

• Formula: C13 H16 O
• Calculated formula: C13 H16 O
• SMILES: OC[C@@H]1[C@@H](c2ccccc2)CC=CC1.OC[C@H]1[C@H](c2ccccc2)CC=CC1
• Title of publication: Crystal structure of (6-phenylcyclohex-3-enyl)methanol, C~13~H~16~O
• Authors of publication: Kakou-Yao, R.; Aycard, J. P.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 4
• Pages of publication: 569 - 570
• a: 7.104 ± 0.001 Å
• b: 28.784 ± 0.001 Å
• c: 5.444 ± 0.001 Å
• α: 90 ± 0.01°
• β: 106.21 ± 0.01°
• γ: 90 ± 0.01°
• Cell volume: 1068.9 ± 0.3 ų
• Cell temperature: 298 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No