Information card for entry 7152312

Structure parameters

• Formula: C22 H27 N O3
• Calculated formula: C22 H27 N O3
• SMILES: O=C1N(c2ccccc2[C@]1(O)[C@@H]1CCCC/C1=C1\CCCCC1)C(=O)C.O=C1N(c2ccccc2[C@@]1(O)[C@H]1CCCC/C1=C1\CCCCC1)C(=O)C
• Title of publication: Photoinduced reactions of bicycloalkylidenes with isatin and isoquinolinetrione.
• Authors of publication: Wu, Dong-Dong; He, Ming-Tao; Liu, Qi-Di; Wang, Wei; Zhou, Jie; Wang, Lei; Fun, Hoong-Kun; Xu, Jian-Hua; Zhang, Yan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 18
• Pages of publication: 3626 - 3635
• a: 9.0404 ± 0.0002 Å
• b: 9.9839 ± 0.0003 Å
• c: 10.8814 ± 0.0003 Å
• α: 90.88 ± 0.001°
• β: 103.859 ± 0.001°
• γ: 111.082 ± 0.001°
• Cell volume: 884.12 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0535
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No