Information card for entry 7027454

Structure parameters

• Formula: C31 H25 N2 O2 P S
• Calculated formula: C31 H25 N2 O2 P S
• SMILES: S=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: 8.865 ± 0.002 Å
• b: 12.054 ± 0.003 Å
• c: 13.935 ± 0.003 Å
• α: 107.558 ± 0.017°
• β: 94.483 ± 0.018°
• γ: 108.463 ± 0.016°
• Cell volume: 1321.6 ± 0.6 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No