Information card for entry 4116745

Structure parameters

• Common name: In-Fluorosilaphane
• Chemical name: Tribenzo 6-Fluoro-6-sila-2,10,19-trithia[5(6,14)][11]metacyclophane
• Formula: C30 H27 F S3 Si
• Calculated formula: C30 H27 F S3 Si
• SMILES: [Si]12(F)c3c(CSCc4cc(cc(c4)CSCc4c2cccc4)CSCc2c1cccc2)cccc3
• Title of publication: Anin-Fluorosilaphane: The Largestin-Functional Group Is a Uniquely Encapsulated Fluorine Atom
• Authors of publication: Steven Dell; Nancy J. Vogelaar; Douglas M. Ho; Robert A. Pascal
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 6421 - 6422
• a: 10.377 ± 0.018 Å
• b: 17.267 ± 0.039 Å
• c: 15.414 ± 0.022 Å
• α: 90°
• β: 108.97 ± 0.11°
• γ: 90°
• Cell volume: 2612 ± 8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0311
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for all reflections: 0.0948
• Weighted residual factors for significantly intense reflections: 0.0724
• Goodness-of-fit parameter for all reflections: 1.032
• Goodness-of-fit parameter for significantly intense reflections: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No