Information card for entry 7152309

Structure parameters

• Formula: C15 H15 N O3
• Calculated formula: C15 H15 N O3
• SMILES: O1C(=O)c2c(C3(C41CC4)CC3)cccc2NC(=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: 5.1915 ± 0.0001 Å
• b: 12.1482 ± 0.0003 Å
• c: 20.353 ± 0.0004 Å
• α: 90°
• β: 91.797 ± 0.001°
• γ: 90°
• Cell volume: 1282.98 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No