Information card for entry 4070172

Structure parameters

• Formula: C22 H20 N2 O2 Si
• Calculated formula: C22 H20 N2 O2 Si
• SMILES: [Si]123(Oc4cccc5C=CC(N1c45)CCCC3)Oc1cccc3ccc[n]2c13
• Title of publication: Hypercoordinate Silacycloalkanes: Step-by-Step Tuning of N→Si Interactions§
• Authors of publication: Brendler, Erica; Wächtler, Erik; Wagler, Jörg
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 18
• Pages of publication: 5459
• a: 15.285 ± 0.0012 Å
• b: 9.7919 ± 0.0006 Å
• c: 13.3812 ± 0.001 Å
• α: 90°
• β: 110.943 ± 0.002°
• γ: 90°
• Cell volume: 1870.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0617
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No