Information card for entry 8105141

Structure parameters

• Formula: C51 H56 O P2
• Calculated formula: C51 H56 O P2
• Title of publication: Crystal structure of (2,7-dihexyl-9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphane), C51H56OP2
• Authors of publication: Nyalungu, Nonjabulo; Alapour, Saba; Friedrich, Holger B.; Bala, Muhammad D.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 2
• Pages of publication: 461 - 463
• a: 20.1788 ± 0.0004 Å
• b: 13.0247 ± 0.0004 Å
• c: 18.0172 ± 0.0005 Å
• α: 90°
• β: 119.874 ± 0.002°
• γ: 90°
• Cell volume: 4106.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No