Information card for entry 7109906

Structure parameters

• Formula: C13 H27 I N3 O0.5
• Calculated formula: C13 H27 I N3 O0.5
• SMILES: [I-].O.N1[C@@H](C(C)(C)C)CN2C1=[NH+][C@H](C2)C(C)(C)C
• Title of publication: Bicyclic guanidinium-catalyzed enantioselective phase-transfer alkylation: direct access to pyrroloindolines and furoindolines
• Authors of publication: Wenchao Chen; Wenguo Yang; Lin Yan; Choon-Hong Tan; Zhiyong Jiang
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 9854
• a: 11.6885 ± 0.0002 Å
• b: 16.3224 ± 0.0002 Å
• c: 17.9468 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3423.97 ± 0.09 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 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: 0.0553
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No