Information card for entry 2005110

Structure parameters

• Chemical name: p-nitrobenzaldehyde
• Formula: C7 H5 N O3
• Calculated formula: C7 H6 N O4
• Title of publication: <i>p</i>-Nitrobenzaldehyde
• Authors of publication: King, Jnr, J. A.; Bryant, Jnr, G. L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1691 - 1693
• a: 6.209 ± 0.002 Å
• b: 5.023 ± 0.001 Å
• c: 10.457 ± 0.003 Å
• α: 90°
• β: 95.35 ± 0.03°
• γ: 90°
• Cell volume: 324.71 ± 0.16 ų
• Cell temperature: 160.95 K
• Ambient diffraction temperature: 160.95 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.0755
• Goodness-of-fit parameter for significantly intense reflections: 4.39
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No