Information card for entry 7127490

Structure parameters

• Formula: C45 H74 Si6
• Calculated formula: C45 H74 Si6
• SMILES: [Si]1(=[Si](c2c1cc1cc3ccccc3cc1c2)C(CC(C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C(CC(C)(C)C)([Si](C)(C)C)[Si](C)(C)C.Cc1ccccc1
• Title of publication: Naphtho- and anthra-disilacyclobutadienes.
• Authors of publication: Ishida, Shintaro; Sugawara, Shohei; Honda, Shunya; Iwamoto, Takeaki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 95
• Pages of publication: 15072 - 15075
• a: 12.95 ± 0.0006 Å
• b: 13.4087 ± 0.0007 Å
• c: 14.2041 ± 0.0007 Å
• α: 92.261 ± 0.001°
• β: 101.164 ± 0.001°
• γ: 100.116 ± 0.001°
• Cell volume: 2375.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No