Information card for entry 8106389

Structure parameters

• Formula: C16 H16 O2
• Calculated formula: C16 H16 O2
• Title of publication: Crystal structure of 2-(4-methoxyphenyl)chromane, C16H16O2
• Authors of publication: Li, Zhong-Yan; Yuan, Lin; Yuan, Xian-You; Zhang, Min
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 6
• Pages of publication: 1033 - 1034
• a: 13.685 ± 0.01 Å
• b: 6.461 ± 0.005 Å
• c: 15.717 ± 0.012 Å
• α: 90°
• β: 112.262 ± 0.008°
• γ: 90°
• Cell volume: 1286.1 ± 1.7 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: 0.05
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No