Information card for entry 2012198

Structure parameters

• Chemical name: rac-1,1'-Bis(2,4,7-trimethylindene)
• Formula: C24 H26
• Calculated formula: C24 H26
• SMILES: [C@H]1(C(=Cc2c(ccc(c12)C)C)C)[C@@H]1C(=Cc2c(ccc(c12)C)C)C.[C@@H]1(C(=Cc2c(ccc(c12)C)C)C)[C@H]1C(=Cc2c(ccc(c12)C)C)C
• Title of publication: Bis(2,4,7-trimethylindenyl)cobalt(II) and <i>rac</i>-2,2',4,4',7,7'-hexamethyl-1,1'-biindene
• Authors of publication: Raubenheimer, Helgard G.; Stenzel, Oleg; Esterhuysen, Matthias W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 9
• Pages of publication: 1056 - 1059
• a: 12.1229 ± 0.0004 Å
• b: 9.688 ± 0.0004 Å
• c: 15.7045 ± 0.0006 Å
• α: 90°
• β: 102.942 ± 0.002°
• γ: 90°
• Cell volume: 1797.59 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 2
• 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: 0.11
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes