Information card for entry 7203300

Structure parameters

• Formula: C70 H82 O2
• Calculated formula: C70 H82 O2
• SMILES: O(c1c(/C=C/c2c(cccc2c2c(cc(C)cc2C)C)c2c(cc(cc2C)C)C)cc(OCCCCCC)c(/C=C/c2c(cccc2c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)c1)CCCCCC
• Title of publication: Solution and film photoluminescence of mesityl-substituted PPVs and low molecular weight models
• Authors of publication: Smith, Rhett C.; Gleason, L. Beth; Protasiewicz, John D.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2006
• Journal volume: 16
• Journal issue: 25
• Pages of publication: 2445
• a: 9.086 ± 0.003 Å
• b: 10.859 ± 0.003 Å
• c: 16.278 ± 0.004 Å
• α: 104.921 ± 0.018°
• β: 97.54 ± 0.03°
• γ: 103.68 ± 0.02°
• Cell volume: 1476 ± 0.8 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: 0.1229
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.627
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No