Information card for entry 7012223

Structure parameters

• Chemical name: Compound 2a
• Formula: C39 H58 Si2
• Calculated formula: C39 H58 Si2
• Title of publication: Synthesis, characterisation and optical spectroscopy of diynes and poly-ynes containing derivatised fluorenes in the backbone
• Authors of publication: Muhammad S. Khan; Muna R. A. Al-Mandhary; Mohammed K. Al-Suti; Birte Ahrens; Mary F. Mahon; Louise Male; Paul R. Raithby; Clare E. Boothby; Anna Köhler
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 1
• Pages of publication: 74 - 84
• a: 10.1696 ± 0.0002 Å
• b: 14.1102 ± 0.0002 Å
• c: 14.4029 ± 0.0003 Å
• α: 68.237 ± 0.001°
• β: 89.396 ± 0.001°
• γ: 83.898 ± 0.001°
• Cell volume: 1907.63 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1798
• Residual factor for significantly intense reflections: 0.0976
• Weighted residual factors for significantly intense reflections: 0.2862
• Weighted residual factors for all reflections included in the refinement: 0.3348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No