Information card for entry 4076076

Structure parameters

• Common name: 4b
• Formula: C23 H28 N4 O2 Si
• Calculated formula: C23 H28 N4 O2 Si
• SMILES: [Si]123(OC(=N[N]2=C(CC(N3N=C(O1)c1ccccc1)(C)C)C)c1ccccc1)CCC
• Title of publication: Hexacoordinate Complexes of Silacyclobutane: Spontaneous Ring Opening and Rearrangement
• Authors of publication: Gostevskii, Boris; Kalikhman, Inna; Tessier, Claire A.; Panzner, Matthew J.; Youngs, Wiley J.; Kost, Daniel
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 24
• Pages of publication: 5786
• a: 11.1551 ± 0.001 Å
• b: 9.0352 ± 0.0008 Å
• c: 43.602 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4394.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No