Information card for entry 7128574

Structure parameters

• Formula: C23 H31 N O Si
• Calculated formula: C23 H31 N O Si
• SMILES: c1ccc2c3c1n(c1cccc(c31)COC2)[Si](C(C)C)(C(C)C)C(C)C
• Title of publication: Direct formation of 4,5-disubstituted carbazoles via regioselective dilithiation.
• Authors of publication: Pocock, Ian A.; Alotaibi, Alya M.; Jagdev, Kesar; Prior, Connor; Burgess, Gregory R.; Male, Louise; Grainger, Richard S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 59
• Pages of publication: 7252 - 7255
• a: 9.0996 ± 0.0003 Å
• b: 14.8381 ± 0.0005 Å
• c: 29.5722 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3992.9 ± 0.2 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.047
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No