Information card for entry 7027452

Structure parameters

• Formula: C31 H25 N2 O2 P
• Calculated formula: C31 H25 N2 O2 P
• SMILES: P(c1cc2ccc(OC(=O)C)c(N=Nc3ccc(cc3)C)c2cc1)(c1ccccc1)c1ccccc1
• Title of publication: Azo-containing tertiary phosphines: synthesis, reactivity and structural characterisation
• Authors of publication: Alder, Mark J.; Cross, Wendy I.; Flower, Kevin R.; Pritchard, Robin G.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 15
• Pages of publication: 2563
• a: 8.2523 ± 0.0016 Å
• b: 10.035 ± 0.0019 Å
• c: 16.5 ± 0.005 Å
• α: 97.27 ± 0.02°
• β: 99.19 ± 0.02°
• γ: 108.358 ± 0.016°
• Cell volume: 1257.2 ± 0.5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1221
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No