Information card for entry 1512029

Structure parameters

• Formula: C28 H21 N Si
• Calculated formula: C28 H21 N Si
• SMILES: n1cccc2ccc3cccc(c3c12)[Si]1(C)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: 8.553 ± 0.001 Å
• b: 20.159 ± 0.002 Å
• c: 12.1697 ± 0.0013 Å
• α: 90°
• β: 101.109 ± 0.003°
• γ: 90°
• Cell volume: 2059 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No