Information card for entry 7714987

Structure parameters

• Common name: (EMind)(O=)P=P(EMind)
• Chemical name: EMind diphosphene oxide
• Formula: C48 H74 O P2
• Calculated formula: C48 H74 O P2
• Title of publication: Selective monooxygenation of diphosphenes with molecular oxygen.
• Authors of publication: Kawase, Yuria; Tsujimoto, Shota; Obayashi, Tomohiro; Kimura, Satoshi; Ito, Kanta; Ikoma, Shotaro; Ota, Kei; Hashizume, Daisuke; Matsuo, Tsukasa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 1956 - 1960
• a: 10.7135 ± 0.0004 Å
• b: 11.714 ± 0.0004 Å
• c: 17.7296 ± 0.0006 Å
• α: 93.27 ± 0.003°
• β: 90.315 ± 0.003°
• γ: 102.939 ± 0.003°
• Cell volume: 2164.62 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1192
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No