Information card for entry 4086782

Structure parameters

• Formula: C33 H29 O2 P
• Calculated formula: C33 H29 O2 P
• SMILES: P(c1ccccc1)(c1ccccc1)c1c(cccc1)C(c1ccc(OC)cc1)c1ccc(OC)cc1
• Title of publication: Synthesis, Coordination Properties, and Catalytic Application of Triarylmethane-Monophosphines
• Authors of publication: Iwai, Tomohiro; Tanaka, Ryotaro; Sawamura, Masaya
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 23
• Pages of publication: 3959
• a: 13.437 ± 0.003 Å
• b: 15.61 ± 0.003 Å
• c: 13.25 ± 0.003 Å
• α: 90°
• β: 111.649 ± 0.003°
• γ: 90°
• Cell volume: 2583.2 ± 1 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.0694
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No