Information card for entry 4321714

Structure parameters

• Common name: 00032a
• Formula: C28 H23 P
• Calculated formula: C28 H23 P
• SMILES: P(C)(C)(C1c2ccccc2c2ccccc12)=C1c2ccccc2c2ccccc12
• Title of publication: The First Noncoordinated Phosphonium Diylide, [Me2P(C13H8)2]-, and Its Ylidic and Cationic Counterparts: Synthesis, Structural Characterization, and Interaction with the Heavy Group 2 Metals
• Authors of publication: Erik D. Brady; Timothy P. Hanusa; Maren Pink; Victor G. Young
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 6028 - 6037
• a: 9.733 ± 0.0007 Å
• b: 17.8237 ± 0.0012 Å
• c: 12.3659 ± 0.0008 Å
• α: 90°
• β: 110.621 ± 0.001°
• γ: 90°
• Cell volume: 2007.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections: 0.1132
• Weighted residual factors for significantly intense reflections: 0.1041
• Goodness-of-fit parameter for all reflections: 0.994
• Goodness-of-fit parameter for significantly intense reflections: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No