Information card for entry 1553896

Structure parameters

• Formula: C15 H14 N2 O
• Calculated formula: C15 H14 N2 O
• SMILES: C[C@]12c3ccccc3N([C@@H]2n2c(C1=O)ccc2)C.O=C1[C@]2(c3ccccc3N(C)[C@H]2n2c1ccc2)C
• Title of publication: Cesium carbonate promoted cascade reaction involving DMF as a reactant for the synthesis of dihydropyrrolizino[3,2-b]indol-10-ones
• Authors of publication: Zhang, Qianqian; Song, Chuanjun; Huang, He; Zhang, Kun; Chang, Junbiao
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 1
• Pages of publication: 80
• a: 9.8465 ± 0.0005 Å
• b: 26.3558 ± 0.0014 Å
• c: 9.9725 ± 0.0005 Å
• α: 90°
• β: 104.267 ± 0.002°
• γ: 90°
• Cell volume: 2508.2 ± 0.2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No