Information card for entry 7134908

Structure parameters

• Formula: C51 H44 Cl2 P2
• Calculated formula: C51 H44 Cl2 P2
• Title of publication: Di-π-methane rearrangement in 1-phosphabarrelenes: formation and reactivity of an unprecedented 2-phosphasemibullvalene.
• Authors of publication: Steffen, Leo; Szych, Lilian S.; Franzke, Yannick J.; Kopp, Richard O.; Ernst, Moritz J.; Weber, Manuela; Müller, Christian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 77
• Pages of publication: 14907 - 14910
• a: 11.7787 ± 0.0007 Å
• b: 12.1311 ± 0.0006 Å
• c: 15.4644 ± 0.0008 Å
• α: 74.53 ± 0.002°
• β: 89.83 ± 0.002°
• γ: 72.66 ± 0.002°
• Cell volume: 2025.8 ± 0.19 ų
• Cell temperature: 144 K
• Ambient diffraction temperature: 144 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: 0.0392
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No