Information card for entry 4034321

Structure parameters

• Formula: C15 H15 N O3 Si
• Calculated formula: C15 H15 N O3 Si
• SMILES: [Si]1(c2cc(OC)ccc2c2ccc(N(=O)=O)cc12)(C)C
• Title of publication: Regioselective Functionalization of 9,9-Dimethyl-9-silafluorenes by Borylation, Bromination, and Nitration.
• Authors of publication: Murai, Masahito; Nishinaka, Naoki; Kimura, Mizuki; Takai, Kazuhiko
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 9
• Pages of publication: 5667 - 5676
• a: 10.563 ± 0.004 Å
• b: 13.604 ± 0.005 Å
• c: 20.789 ± 0.008 Å
• α: 95.046 ± 0.004°
• β: 95.418 ± 0.006°
• γ: 105.221 ± 0.006°
• Cell volume: 2849.9 ± 1.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.1665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No