Information card for entry 7204301

Structure parameters

• Formula: C24 H18 N2 O7
• Calculated formula: C24 H18 N2 O7
• SMILES: O1[C@@H]2[C@H]3[C@]4(O[C@H]3O[C@@H]2[C@@]21c1ccccc1N(C2=O)C(=O)C)c1ccccc1N(C4=O)C(=O)C
• Title of publication: Photoinduced [2+2] cycloadditions (the Paterno–Büchi reaction) of 1-acetylisatin with enol ethers—regioselectivity, diastereoselectivity and acid catalysed transformations of the spirooxetane products
• Authors of publication: Zhang, Yan; Xue, Jie; Gao, Yi; Fun, Hoong-Kun; Xu, Jian-Hua
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2002
• Journal issue: 3
• Pages of publication: 345 - 353
• a: 9.0926 ± 0.0004 Å
• b: 9.1306 ± 0.0004 Å
• c: 12.1838 ± 0.0005 Å
• α: 90°
• β: 98.03 ± 0.001°
• γ: 90°
• Cell volume: 1001.59 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0962
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1623
• Weighted residual factors for all reflections included in the refinement: 0.2037
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No