Information card for entry 4517239

Structure parameters

• Common name: phosphangulene oxide : phosphangulene 0.85:0.15
• Formula: C18 H9 O3.85 P
• Calculated formula: C18 H9 O3.854 P
• Title of publication: Foiling Normal Patterns of Crystallization by Design. Polymorphism of Phosphangulene Chalcogenides
• Authors of publication: Alice Heskia; Thierry Maris; James D. Wuest
• Journal of publication: Cryst. Growth & Design
• Year of publication: 2019
• Journal volume: 19
• Pages of publication: 5390 - 5406
• a: 12.0696 ± 0.0005 Å
• b: 7.4375 ± 0.0003 Å
• c: 29.7131 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2667.28 ± 0.19 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0476
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes