Information card for entry 7115631

Structure parameters

• Formula: C42 H58 O2 P2
• Calculated formula: C36 H44 O2 P2
• SMILES: c1(pc2c(cc(C(C)(C)C)cc2o1)C(C)(C)C)c1ccc(c2pc3c(cc(C(C)(C)C)cc3C(C)(C)C)o2)cc1
• Title of publication: Luminescent materials containing multiple benzoxaphosphole units
• Authors of publication: Shanshan Wu; Arnold L. Rheingold; John D. Protasiewicz
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 11036
• a: 6.5471 ± 0.0004 Å
• b: 10.5962 ± 0.0006 Å
• c: 14.3323 ± 0.0009 Å
• α: 100.773 ± 0.002°
• β: 101.934 ± 0.002°
• γ: 107.345 ± 0.002°
• Cell volume: 895.07 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0419
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No