Information card for entry 2015065

Structure parameters

• Chemical name: Glyoxal 4-nitrophenylhydrazone
• Formula: C8 H7 N3 O3
• Calculated formula: C8 H7 N3 O3
• SMILES: O=C/C=N/Nc1ccc(N(=O)=O)cc1
• Title of publication: Glyoxal 4-nitrophenylhydrazone: triple helices linked into a three-dimensional channel structure
• 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: 8
• Pages of publication: o493 - o495
• a: 31.4722 ± 0.0012 Å
• b: 31.4722 ± 0.0012 Å
• c: 3.656 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3621.3 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes