Information card for entry 8105462

Structure parameters

• Formula: C15 H16 O
• Calculated formula: C15 H16 O
• Title of publication: Crystal structure of (6aR,6a1S,10aS)-2,4a,6a,6a 1,9,10-hexahydro-7H-4,5-methanocyclobuta[4,5]naphtho[8a,1-b]pyran, C15H16O
• Authors of publication: Zhai, Shengxian; Chen, Lunjian; Niu, Yongsheng; Han, Chuchu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 6
• Pages of publication: 1347 - 1348
• a: 5.4371 ± 0.0007 Å
• b: 17.567 ± 0.002 Å
• c: 11.884 ± 0.0018 Å
• α: 90°
• β: 101.043 ± 0.009°
• γ: 90°
• Cell volume: 1114.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No