Information card for entry 4024323

Structure parameters

• Formula: C27 H29 O P Se
• Calculated formula: C27 H29 O P Se
• SMILES: [Se](c1ccccc1)/C(=C\C1CCCCC1)CP(=O)(c1ccccc1)c1ccccc1
• Title of publication: Highly Regioselective Simultaneous Introduction of Phosphino and Seleno Groups into Unsaturated Bonds by the Novel Combination of (Ph2P)2 and (PhSe)2 upon Photoirradiation
• Authors of publication: Shin-ichi Kawaguchi; Takamune Shirai; Takashi Ohe; Akihiro Nomoto; Motohiro Sonoda; Akiya Ogawa
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 1751 - 1754
• a: 19.493 ± 0.007 Å
• b: 5.7226 ± 0.0016 Å
• c: 21.742 ± 0.01 Å
• α: 90°
• β: 92.909 ± 0.018°
• γ: 90°
• Cell volume: 2422.3 ± 1.5 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No