Information card for entry 1514218

Structure parameters

• Formula: C28 H28 O4
• Calculated formula: C28 H28 O4
• SMILES: O=C(OC)C([C@H]1[C@@H]([C@H](c2c1cc(cc2)C)c1ccc(cc1)C)c1ccccc1)C(=O)OC.O=C(OC)C([C@@H]1[C@H]([C@@H](c2c1cc(cc2)C)c1ccc(cc1)C)c1ccccc1)C(=O)OC
• Title of publication: AlCl3-Promoted Formal [2 + 3]-Cycloaddition of 1,1-Cyclopropane Diesters with N-Benzylic Sulfonamides To Construct Highly Stereoselective Indane Derivatives.
• Authors of publication: Zhu, Mengyun; Liu, Jinqian; Yu, Jianjun; Chen, Liangshun; Zhang, Chunmei; Wang, Limin
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 7
• Pages of publication: 1856 - 1859
• a: 16.8408 ± 0.001 Å
• b: 14.2476 ± 0.0008 Å
• c: 19.6198 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4707.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No