Information card for entry 4034320

Structure parameters

• Formula: C15 H15 N O3 Si
• Calculated formula: C15 H15 N O3 Si
• SMILES: [Si]1(c2ccccc2c2cc(N(=O)=O)c(OC)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: 10.822 ± 0.002 Å
• b: 10.616 ± 0.003 Å
• c: 24.636 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2830.3 ± 1.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No