Information card for entry 2014879

Structure parameters

• Chemical name: N-Phenyl-4-nitrophthalimide
• Formula: C14 H8 N2 O4
• Calculated formula: C14 H8 N2 O4
• SMILES: N1(C(=O)c2c(C1=O)cc(cc2)N(=O)=O)c1ccccc1
• Title of publication: Chains of edge-fused hydrogen-bonded <i>R</i>~3~^3^(12) rings in <i>N</i>-phenyl-4-nitrophthalimide
• Authors of publication: Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o209 - o210
• a: 11.9288 ± 0.0006 Å
• b: 7.0604 ± 0.0002 Å
• c: 13.8337 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1165.1 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0818
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1623
• Weighted residual factors for all reflections included in the refinement: 0.1705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes