Information card for entry 2015259

Structure parameters

• Chemical name: di-tert-butyl ketone triphenylphosphoranylidenehydrazone
• Formula: C27 H33 N2 P
• Calculated formula: C27 H33 N2 P
• SMILES: P(=NN=C(C(C)(C)C)C(C)(C)C)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Di-<i>tert</i>-butyl ketone hydrazone and di-<i>tert</i>-butyl ketone triphenylphosphoranylidenehydrazone
• Authors of publication: Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o234 - o236
• a: 29.1768 ± 0.0016 Å
• b: 11.6848 ± 0.0007 Å
• c: 14.3768 ± 0.0006 Å
• α: 90°
• β: 103.243 ± 0.003°
• γ: 90°
• Cell volume: 4771.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes