Information card for entry 1504550

Structure parameters

• Common name: trans-1
• Chemical name: trans-P,P'-diphenyl-benzophospholo[3,2-b]benzophosphole-P,P'-dioxide
• Formula: C26 H18 O2 P2
• Calculated formula: C26 H18 O2 P2
• SMILES: [P@@]1(=O)(c2ccccc2C2=C1c1ccccc1[P@]2(=O)c1ccccc1)c1ccccc1
• Title of publication: Bis-phosphoryl-bridged stilbenes synthesized by an intramolecular cascade cyclization.
• Authors of publication: Fukazawa, Aiko; Hara, Masanao; Okamoto, Toshihiro; Son, Eun-Cheol; Xu, Caihong; Tamao, Kohei; Yamaguchi, Shigehiro
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 913 - 916
• a: 8.295 ± 0.017 Å
• b: 15.32 ± 0.02 Å
• c: 8.85 ± 0.019 Å
• α: 90°
• β: 113.703 ± 0.019°
• γ: 90°
• Cell volume: 1030 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No