Information card for entry 4076077

Structure parameters

• Common name: 7c
• Formula: C21 H24 N4 O2 Si
• Calculated formula: C21 H24 N4 O2 Si
• SMILES: [Si]123(OC(=N[N]1=Cc1ccccc1)C)OC(=NN2C(CCC3)c1ccccc1)C
• 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: 31.124 ± 0.003 Å
• b: 8.5609 ± 0.0007 Å
• c: 31.249 ± 0.003 Å
• α: 90°
• β: 96.615 ± 0.002°
• γ: 90°
• Cell volume: 8270.8 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No