Information card for entry 7115680

Structure parameters

• Formula: C31 H23 Cl2 O1.25 P
• Calculated formula: C31 H23 Cl2 O1.25 P
• 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: 14.2166 ± 0.001 Å
• b: 28.5677 ± 0.0019 Å
• c: 12.5338 ± 0.0008 Å
• α: 90°
• β: 97.179 ± 0.003°
• γ: 90°
• Cell volume: 5050.5 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0835
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No