Information card for entry 7023751

Structure parameters

• Formula: C21 H25 O P
• Calculated formula: C21 H25 O P
• SMILES: P1=C(c2ccccc2)Oc2c1c(cc(C(C)(C)C)c2)C(C)(C)C
• Title of publication: An unusually unstable ortho-phosphinophenol and its use to prepare benzoxaphospholes having enhanced air-stability.
• Authors of publication: Wu, Shanshan; Deligonal, Nihal; Protasiewicz, John D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 41
• Pages of publication: 14866 - 14874
• a: 10.5448 ± 0.0009 Å
• b: 10.0465 ± 0.0008 Å
• c: 35.559 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3767.1 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No