Information card for entry 7025861

Structure parameters

• Formula: C17 H15 N O2
• Calculated formula: C17 H15 N O2
• Title of publication: Structural studies of some push-pull N-arylbenzazoles.
• Authors of publication: Crawford, Lynne A.; Ieva, Maria; McNab, Hamish; Parsons, Simon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 30
• Pages of publication: 7147 - 7152
• a: 7.3474 ± 0.0006 Å
• b: 7.917 ± 0.0007 Å
• c: 23.9413 ± 0.0019 Å
• α: 90°
• β: 92.593 ± 0.001°
• γ: 90°
• Cell volume: 1391.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0487
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No