Information card for entry 7005526

Structure parameters

• Formula: C35 H25 P Se
• Calculated formula: C35 H25 P Se
• SMILES: [Se]=P1(C2=C(C(C(=C2c2c1cccc2)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Stereoselective synthesis of olefins by a reductive coupling reaction.
• Authors of publication: Hua, Guoxiong; Li, Yang; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 15
• Pages of publication: 1477 - 1480
• a: 8.7786 ± 0.0016 Å
• b: 12.928 ± 0.003 Å
• c: 13.292 ± 0.003 Å
• α: 110.949 ± 0.005°
• β: 96.458 ± 0.005°
• γ: 106.949 ± 0.005°
• Cell volume: 1307.4 ± 0.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 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: 0.093
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No