Information card for entry 2016474

Structure parameters

• Chemical name: Cyclopentadecanone 2,4-dinitrophenylhydrazone
• Formula: C21 H32 N4 O4
• Calculated formula: C21 H32 N4 O4
• SMILES: O=N(=O)c1c(NN=C2CCCCCCCCCCCCCC2)ccc(N(=O)=O)c1
• Title of publication: Cyclopentadecanone 2,4-dinitrophenylhydrazone
• Authors of publication: Noe, Eric A.; Pawar, Diwakar M.; Fronczek, Frank R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o139 - o141
• a: 7.2486 ± 0.0014 Å
• b: 8.3234 ± 0.0015 Å
• c: 17.731 ± 0.003 Å
• α: 103.419 ± 0.012°
• β: 94.044 ± 0.009°
• γ: 97.017 ± 0.013°
• Cell volume: 1027.3 ± 0.3 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: 0.091
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes