Information card for entry 7108493

Structure parameters

• Formula: C26 H21 Cl N2 O5
• Calculated formula: C26 H21 Cl N2 O5
• SMILES: Clc1cc2c(N(C(=O)[C@@]32OC(=O)[C@@H]([C@H]([C@@H]3N(=O)=O)c2ccccc2)C)Cc2ccccc2)cc1
• Title of publication: Asymmetric synthesis of a structurally and stereochemically complex spirooxindole pyran scaffold through an organocatalytic multicomponent cascade reaction
• Authors of publication: Xin Xie; Cheng Peng; Gu He; Hai-Jun Leng; Biao Wang; Wei Huang; Bo Han
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 10487
• a: 6.9973 ± 0.0003 Å
• b: 16.3475 ± 0.0006 Å
• c: 19.973 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2284.68 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No