Information card for entry 7152308

Structure parameters

• Formula: C26 H22 N2 O6
• Calculated formula: C26 H22 N2 O6
• SMILES: O=C1N(c2ccccc2[C@@]21O[C@]13OC4(C5(O[C@@]23c2ccccc2N1C(=O)C)CC5)CC4)C(=O)C.O=C1N(c2ccccc2[C@]21O[C@@]13OC4(C5(O[C@]23c2ccccc2N1C(=O)C)CC5)CC4)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: 15.678 ± 0.0006 Å
• b: 9.3043 ± 0.0006 Å
• c: 30.2382 ± 0.0013 Å
• α: 90°
• β: 104.663 ± 0.002°
• γ: 90°
• Cell volume: 4267.3 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No