Information card for entry 2016715

Structure parameters

• Common name: cyclotridecanone 2',4'-dinitrophenylhydrazone
• Chemical name: cyclotridecanone 2,4-dinitrophenylhydrazone
• Formula: C19 H28 N4 O4
• Calculated formula: C19 H28 N4 O4
• SMILES: O=N(=O)c1c(NN=C2CCCCCCCCCCCC2)ccc(N(=O)=O)c1
• Title of publication: Cyclotridecanone 2,4-dinitrophenylhydrazone
• Authors of publication: Valente, Edward J.; Pawar, Diwaker M.; Fronczek, Frank R.; Noe, Eric A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o447 - o449
• a: 7.7859 ± 0.001 Å
• b: 7.8937 ± 0.001 Å
• c: 16.13 ± 0.002 Å
• α: 81.979 ± 0.007°
• β: 77.608 ± 0.008°
• γ: 80.234 ± 0.008°
• Cell volume: 948.7 ± 0.2 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes