Information card for entry 7034191

Structure parameters

• Formula: C53 H72 N4 O P4
• Calculated formula: C53 H72 N4 O P4
• SMILES: P1(OC23P4P(P24)N(C3/C=N/c2c(C(C)C)cccc2C(C)C)c2c(C(C)C)cccc2C(C)C)N(c2c(C(C)C)cccc2C(C)C)C=CN1c1c(C(C)C)cccc1C(C)C
• Title of publication: A stable phosphanyl phosphaketene and its reactivity.
• Authors of publication: Li, Zhongshu; Chen, Xiaodan; Bergeler, Maike; Reiher, Markus; Su, Cheng-Yong; Grützmacher, Hansjörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 14
• Pages of publication: 6431 - 6438
• a: 9.86749 ± 0.00018 Å
• b: 15.8674 ± 0.0003 Å
• c: 18.6581 ± 0.0004 Å
• α: 68.043 ± 0.002°
• β: 77.0428 ± 0.0017°
• γ: 73.5767 ± 0.0017°
• Cell volume: 2575.72 ± 0.1 ų
• Cell temperature: 105 ± 1 K
• Ambient diffraction temperature: 105 ± 1 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 all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No