Information card for entry 7152311

Structure parameters

• Formula: C22 H27 N O4
• Calculated formula: C22 H27 N O4
• SMILES: O1C(=Nc2ccccc2C21OC1(C3(OC2=O)CCCCC3)CCCCC1)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: 13.2402 ± 0.0004 Å
• b: 8.7479 ± 0.0002 Å
• c: 19.2827 ± 0.0005 Å
• α: 90°
• β: 123.821 ± 0.002°
• γ: 90°
• Cell volume: 1855.46 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0884
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No