Information card for entry 1512030

Structure parameters

• Formula: C27 H19 N O Si
• Calculated formula: C27 H19 N O Si
• SMILES: n1cccc2ccc3cccc(c3c12)[Si]1(O)c2ccccc2C=Cc2ccccc12
• Title of publication: Synthesis of Dibenzo[b,f]silepins with a Benzoquinolyl Ligand
• Authors of publication: Tokoro, Yuichiro; Tanaka, Kazuo; Chujo, Yoshiki
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 2366
• a: 7.8852 ± 0.0006 Å
• b: 14.9048 ± 0.0012 Å
• c: 17.1614 ± 0.0013 Å
• α: 90°
• β: 99.5 ± 0.002°
• γ: 90°
• Cell volume: 1989.3 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 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 all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1562
• Weighted residual factors for all reflections included in the refinement: 0.2166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No