Information card for entry 7154405

Structure parameters

• Formula: C25 H25 Cl N2 O6
• Calculated formula: C25 H25 Cl N2 O6
• SMILES: c12ccc(cc1[C@@]1(C(=O)N2)[C@@H](C(=O)c2ccc(C)cc2)CN(C)[C@]1(C(=O)OC)CC(=O)OC)Cl
• Title of publication: Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.
• Authors of publication: Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 21
• Pages of publication: 5905 - 5917
• a: 7.5714 ± 0.001 Å
• b: 15.502 ± 0.002 Å
• c: 20.241 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2375.7 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0873
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No