Information card for entry 1546838

Structure parameters

• Common name: Si-Sum
• Chemical name: Si-Sumanene
• Formula: C24 H24 Si3
• Calculated formula: C24 H24 Si3
• SMILES: c1cc2c3c4c1[Si](C)(C)c1c4c4c5c3c(ccc5[Si](c4cc1)(C)C)[Si]2(C)C
• Title of publication: Iodine-doped sumanene and its application for the synthesis of chalcogenasumanenes and silasumanenes
• Authors of publication: Tan, Qitao; Zhou, Dandan; Zhang, Tao; Liu, Bingxin; Xu, Bin
• Journal of publication: Chemical Communications
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 74
• Pages of publication: 10279 - 10282
• a: 12.04 ± 0.0014 Å
• b: 20.685 ± 0.002 Å
• c: 18.893 ± 0.002 Å
• α: 90°
• β: 93.345 ± 0.002°
• γ: 90°
• Cell volume: 4697.2 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.1372
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1687
• Weighted residual factors for all reflections included in the refinement: 0.2445
• Goodness-of-fit parameter for all reflections included in the refinement: 0.806
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No