Information card for entry 8107646

Structure parameters

• Common name: 4-bromobenzoic acid-triphenylphosphane oxide-water(1:2:1)
• Formula: C79 H69 Br O8 P4
• Calculated formula: C79 H69 Br O8 P4
• Title of publication: The crystal structure of 4-bromobenzoic acid — triphenylphosphane oxide — water (1:2:1), C79H69BrO8P4
• Authors of publication: Mukiza, Janvier; Gerber, Thomas I. A.; Hosten, Eric C.; Betz, Richard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2015
• Journal volume: 230
• Journal issue: 1
• Pages of publication: 35 - 37
• a: 8.831 ± 0.0004 Å
• b: 9.779 ± 0.0004 Å
• c: 20.4514 ± 0.0008 Å
• α: 87.361 ± 0.002°
• β: 78.463 ± 0.002°
• γ: 76.439 ± 0.002°
• Cell volume: 1682.22 ± 0.12 ų
• Ambient diffraction temperature: 200 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 significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0907
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No