Information card for entry 7050720

Structure parameters

• Formula: C54 H34 Si2
• Calculated formula: C54 H34 Si2
• SMILES: C#Cc1ccc(cc1)C#C[Si](C#Cc1ccc(C#C[Si](C#Cc2ccc(C#C)cc2)(c2ccccc2)c2ccccc2)cc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and characterisation of new oligoacetylenic silanes
• Authors of publication: Wai-Yeung Wong; Albert W.-M Lee; Chun-Kin Wong; Guo-Liang Lu; Hongkui Zhang; Tian Mo; Kwun-Ting Lam
• Journal of publication: New J. Chem.
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 3
• Pages of publication: 354 - 360
• a: 8.0001 ± 0.0007 Å
• b: 9.4959 ± 0.0009 Å
• c: 14.769 ± 0.0013 Å
• α: 80.96 ± 0.002°
• β: 74.773 ± 0.002°
• γ: 82.454 ± 0.002°
• Cell volume: 1064.35 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0695
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1741
• Weighted residual factors for all reflections included in the refinement: 0.189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No