Information card for entry 1519827

Structure parameters

• Formula: C13 H16 F6 N P
• Calculated formula: C13 H16 F6 N P
• Title of publication: 1-((E)-3-Phenyl-propenyl)-pyrrolidine
• Authors of publication: Tomkinson, N.; Coles, Simon J.; Hursthouse, Michael B.; Coles, Simon J.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2007
• Pages of publication: 307
• a: 18.0459 ± 0.0005 Å
• b: 16.968 ± 0.0005 Å
• c: 9.5823 ± 0.0001 Å
• α: 90°
• β: 97.198 ± 0.002°
• γ: 90°
• Cell volume: 2911 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No