Information card for entry 4020129

Structure parameters

• Formula: C17 H15 N O
• Calculated formula: C17 H15 N O
• Authors of publication: Maryiam Qadir; Jonathan Cobb; Peter W. Sheldrake; Neil Whittall; Andrew J. P. White; King Kuok (Mimi) Hii; Peter N. Horton; Michael B. Hursthouse
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 1545 - 1551
• a: 10.2478 ± 0.0003 Å
• b: 10.1404 ± 0.0002 Å
• c: 12.6013 ± 0.0003 Å
• α: 90°
• β: 95.208 ± 0.001°
• γ: 90°
• Cell volume: 1304.08 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0472
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No