Information card for entry 7101823

Structure parameters

• Formula: C18 H23 P Se2
• Calculated formula: C18 H23 P Se2
• SMILES: [Se]=P1([Se]C(=C1C(C)(C)C)C#CC(C)(C)C)c1ccccc1
• Title of publication: Unexpected four- and eight-membered organo P-Se heterocycles.
• Authors of publication: Hua, Guoxiong; Li, Yang; Slawin, Alexandra M Z; Woollins, J Derek
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 14
• Pages of publication: 1465 - 1467
• a: 8.1765 ± 0.001 Å
• b: 25.499 ± 0.003 Å
• c: 9.2946 ± 0.0011 Å
• α: 90°
• β: 92.984 ± 0.003°
• γ: 90°
• Cell volume: 1935.2 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• 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: 0.05
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No