Information card for entry 7223947

Structure parameters

• Formula: C14 H16 Cl N O
• Calculated formula: C14 H16 Cl N O
• SMILES: Clc1c([C@@H]2CC(=O)N3[C@H]2CCC3)c(ccc1)C
• Title of publication: Asymmetric synthesis of functionalized pyrrolizidines by an organocatalytic and pot-economy strategy
• Authors of publication: Lin, Chia-Hsin; Hong, Bor-Cherng; Lee, Gene-Hsiang
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 8243
• a: 7.6652 ± 0.0006 Å
• b: 7.8614 ± 0.0006 Å
• c: 20.6346 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1243.42 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0755
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No