Information card for entry 2234176

Structure parameters

• Chemical name: <i>N</i>'-Cyclododecylidenepyridine-4-carbohydrazide
• Formula: C18 H27 N3 O
• Calculated formula: C18 H27 N3 O
• SMILES: O=C(c1ccncc1)NN=C1CCCCCCCCCCC1
• Title of publication: <i>N</i>'-Cyclododecylidenepyridine-4-carbohydrazide
• Authors of publication: Lemmerer, Andreas; Bernstein, Joel; Kahlenberg, Volker
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1205
• a: 14.845 ± 0.0006 Å
• b: 8.098 ± 0.0004 Å
• c: 27.391 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3292.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes