Information card for entry 8000172

Structure parameters

• Common name: SiOBO ring
• Chemical name: SiOBO ring
• Formula: C27 H60 B N O2 Si3
• Calculated formula: C27 H60 B N O2 Si3
• SMILES: [Si]1(OB(O1)N1C(CCCC1(C)C)(C)C)([Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C
• Title of publication: Thia- and Selenasilaboriranes and 1,3,2,4-Dioxasilaboretane from a Stable Silaborene
• Authors of publication: Nakata, Norio; Sekiguchi, Akira
• Journal of publication: Chemistry Letters
• Year of publication: 2007
• Journal volume: 36
• Journal issue: 5
• Pages of publication: 662
• a: 11.416 ± 0.0007 Å
• b: 17.629 ± 0.0011 Å
• c: 16.893 ± 0.0006 Å
• α: 90°
• β: 102.371 ± 0.003°
• γ: 90°
• Cell volume: 3320.8 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0785
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1564
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No