Information card for entry 7015351

Structure parameters

• Formula: C23 H29 N Si
• Calculated formula: C23 H29 N Si
• SMILES: [Si](Nc1c(c2ccccc2)cccc1)(C1C(=C(C(=C1C)C)C)C)(C)C
• Title of publication: Titanium "constrained geometry" complexes with pendant arene groups.
• Authors of publication: Dureen, Meghan A.; Brown, Christopher C.; Morton, Jason G. M.; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 12
• Pages of publication: 2861 - 2867
• a: 9.3969 ± 0.0019 Å
• b: 10.297 ± 0.002 Å
• c: 12.44 ± 0.003 Å
• α: 68.91 ± 0.03°
• β: 82.78 ± 0.03°
• γ: 64.73 ± 0.03°
• Cell volume: 1015 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0929
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1644
• Weighted residual factors for all reflections included in the refinement: 0.1891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No