Information card for entry 1518990

Structure parameters

• Formula: C17 H17 O P Si
• Calculated formula: C17 H17 O P Si
• SMILES: [P]1(=O)(c2ccccc2C2=C1c1c([Si]2(C)C)cccc1)C
• Title of publication: Versatile synthesis of phospholides from open-chain precursors. Application to annelated pyrrole- and silole-phosphole rings.
• Authors of publication: Xu, Youzhi; Wang, Zhihua; Gan, Zhenjie; Xi, Qiuzhen; Duan, Zheng; Mathey, François
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 7
• Pages of publication: 1732 - 1734
• a: 14.4427 ± 0.0008 Å
• b: 6.5207 ± 0.0004 Å
• c: 16.6673 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1569.67 ± 0.15 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No