Information card for entry 7109104

Structure parameters

• Formula: C23 H21 Cl N2 O5
• Calculated formula: C23 H21 Cl N2 O5
• SMILES: Clc1ccc([C@@H]2N[C@]3([C@H]([C@]42c2c(NC4=O)cccc2)C(=O)OCC)CCOC3=O)cc1
• Title of publication: Efficient construction of highly functionalized spiro[gamma-butyrolactone-pyrrolidin-3,3'-oxindole] tricyclic skeletons via an organocatalytic 1,3-dipolar cycloaddition
• Authors of publication: Long Wang; Xiao-Mei Shi; Wei-Ping Dong; Li-Ping Zhu; Rui Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 3458
• a: 6.39013 ± 0.00018 Å
• b: 16.4094 ± 0.0005 Å
• c: 20.8853 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2189.99 ± 0.11 ų
• Cell temperature: 292.19 ± 0.1 K
• Ambient diffraction temperature: 292.19 ± 0.1 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: 0.075
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No