Information card for entry 7132554

Structure parameters

• Formula: C40 H63 B10 N5 O3 Si2
• Calculated formula: C40 H63 B10 N5 O3 Si2
• SMILES: [Si]123(O[Si]4(O1)([N](=C(N4C(C)(C)C)c1ccccc1)C(C)(C)C)C(=N\c1c(OC)cccc1)/[C]1456[C]7892[BH]2%104[BH]4%115[BH]5%121[BH]1%134[BH]4%145[BH]68%12[BH]59%14[BH]614[BH]2%11%13[BH]7%1056)[N](=C(N3C(C)(C)C)c1ccccc1)C(C)(C)C
• Title of publication: Synthesis of SiN/SiS-heterocycles <i>via</i> the reactions of a bis-silylene with isocyanate/isothiocyanate molecules.
• Authors of publication: Liu, Rui; Mondal, Kartik Chandra; Wang, Chenfeng; Suthar, Sonam; Fang, Zijie; Zuo, Darui; Li, Yan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 9
• Pages of publication: 1148 - 1151
• a: 12.922 ± 0.005 Å
• b: 17.399 ± 0.008 Å
• c: 21.674 ± 0.008 Å
• α: 90°
• β: 104.21 ± 0.013°
• γ: 90°
• Cell volume: 4724 ± 3 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No