Information card for entry 7115915

Structure parameters

• Formula: C20 H16 Cl N O2
• Calculated formula: C20 H16 Cl N O2
• Title of publication: Organocatalytic asymmetric strategies to carbocyclic structures by gamma-alkylation-annulation sequences
• Authors of publication: Bjarke S. Donslund; Kim Soholm Halskov; Lars A. Leth; Bruno Matos Paz; Karl Anker Jorgensen
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 13676
• a: 11.8439 ± 0.0004 Å
• b: 11.8914 ± 0.0002 Å
• c: 22.4284 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3158.83 ± 0.15 ų
• Cell temperature: 99.99 ± 0.13 K
• Ambient diffraction temperature: 99.99 ± 0.13 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: 0.0918
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No