Information card for entry 2217198

Structure parameters

• Chemical name: (2,5-Diphenylpent-4-yn-1-en-3-ylidene)triphenylphosphorane
• Formula: C35 H27 P
• Calculated formula: C35 H27 P
• SMILES: P(c1ccccc1)(c1ccccc1)(c1ccccc1)=C(C#Cc1ccccc1)C(=C)c1ccccc1
• Title of publication: (2,5-Diphenylpent-4-yn-1-en-3-ylidene)triphenylphosphorane
• Authors of publication: Wang, Aichen; Wang, Qibao; Li, Xiaoyan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o68 - o68
• a: 11.439 ± 0.002 Å
• b: 11.609 ± 0.002 Å
• c: 11.913 ± 0.002 Å
• α: 116 ± 0.03°
• β: 97.24 ± 0.03°
• γ: 108.47 ± 0.03°
• Cell volume: 1281.9 ± 0.7 ų
• Cell temperature: 383 ± 2 K
• Ambient diffraction temperature: 383 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes