Information card for entry 2234736

Structure parameters

• Chemical name: (<i>E</i>)-3,3',4,4',7,7',8,8'-Octamethyl-2<i>H</i>,2'<i>H</i>-1,1'- bi(cyclopenta[<i>fg</i>]acenaphthylenylidene)-2,2',5,5',6,6'-hexaone dichloromethane monosolvate
• Formula: C37 H26 Cl2 O6
• Calculated formula: C37 H26 Cl2 O6
• SMILES: ClCCl.O=C1C(c2c(c(c3C(=O)C(=O)c4c(c(c1c2c34)C)C)C)C)=C1C(=O)c2c(c(c3C(=O)C(=O)c4c(c(c1c2c34)C)C)C)C
• Title of publication: (<i>E</i>)-3,3',4,4',7,7',8,8'-Octamethyl-2<i>H</i>,2'<i>H</i>-1,1'-bi(cyclopenta[<i>fg</i>]acenaphthylenylidene)-2,2',5,5',6,6'-hexaone dichloromethane monosolvate
• Authors of publication: McCandless, Gregory T.; Sygula, Andrzej; Rabideau, Peter W.; Watkins, Steven F.; Fronczek, Frank R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1458 - o1459
• a: 8.6644 ± 0.0015 Å
• b: 10.959 ± 0.002 Å
• c: 15.856 ± 0.003 Å
• α: 94.241 ± 0.01°
• β: 101.501 ± 0.009°
• γ: 95.204 ± 0.01°
• Cell volume: 1462.7 ± 0.5 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes