Information card for entry 7150288

Structure parameters

• Common name: bis(1,2,3,4-tetramethylcyclopentadienyl)selenium
• Chemical name: bis(1,2,3,4-tetramethylcyclopentadienyl)selenium
• Formula: C18 H26 Se
• Calculated formula: C18 H26 Se
• SMILES: [Se](C1C(=C(C(=C1C)C)C)C)C1C(=C(C(=C1C)C)C)C
• Title of publication: Tetramethylcyclopentadienylselenium derivatives.
• Authors of publication: Ford, Susan; Hofmann, Marco; Morley, Christopher P.; Roberts, John L.; Di Vaira, Massimo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 21
• Pages of publication: 3990 - 3995
• a: 8.418 ± 0.003 Å
• b: 13.169 ± 0.009 Å
• c: 15.523 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1721 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No