Information card for entry 7115678

Structure parameters

• Formula: C31 H24 Cl O P
• Calculated formula: C31 H24 Cl O P
• SMILES: Clc1ccc(C2OP(c3c2cccc3)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
• Title of publication: Multicomponent reactions involving phosphines, arynes and aldehydes
• Authors of publication: Anup Bhunia; Trinadh Kaicharla; Digvijay Porwal; Rajesh G. Gonnade; Akkattu T. Biju
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 11389
• a: 10.1588 ± 0.0006 Å
• b: 13.9351 ± 0.0008 Å
• c: 18.4004 ± 0.001 Å
• α: 78.641 ± 0.003°
• β: 75.556 ± 0.003°
• γ: 73.465 ± 0.003°
• Cell volume: 2395.8 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1171
• Residual factor for significantly intense reflections: 0.1043
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.1665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.349
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No