Information card for entry 8105665

Structure parameters

• Formula: C15 H19 N O
• Calculated formula: C15 H19 N O
• SMILES: O=C1NC2=C[C@]([C@H](CC2=C1C)C(=C)C)(C)C=C.O=C1NC2=C[C@@]([C@@H](CC2=C1C)C(=C)C)(C)C=C
• Title of publication: Crystal structure of rac-3,6-dimethyl-5-(prop-1-en-2-yl)-6-vinyl-1,4,5,6-tetrahydro-2H-indol-2-one, C15H19NO
• Authors of publication: Bai, Yunli; Wang, Yanhong; Li, Xingyi; Xun, Miao-Miao; Yuan, Changchun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 3
• Pages of publication: 419 - 420
• a: 6.9535 ± 0.0005 Å
• b: 7.4037 ± 0.0006 Å
• c: 14.5179 ± 0.0009 Å
• α: 97.879 ± 0.004°
• β: 93.543 ± 0.005°
• γ: 116.785 ± 0.005°
• Cell volume: 654.43 ± 0.09 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No