Information card for entry 8104760

Structure parameters

• Formula: C14 H13 N O
• Calculated formula: C14 H13 N O
• Title of publication: Crystal structure of 9-methyl-3-methylene-1,2,3,9-tetrahydro-4H-carbazol-4-one, C14H13NO
• Authors of publication: Ke, Yu-Jing; Liang, Peng-Jie; Wang, Peng-Cheng; Xian, Shao-Hua; Li, Guo-Qiang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 3
• Pages of publication: 541 - 542
• a: 9.277 ± 0.0007 Å
• b: 8.4582 ± 0.0006 Å
• c: 13.443 ± 0.0012 Å
• α: 90°
• β: 98.199 ± 0.008°
• γ: 90°
• Cell volume: 1044.05 ± 0.14 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No