Information card for entry 7106975

Structure parameters

• Formula: C65 H70
• Calculated formula: C65 H70
• SMILES: c1c2c3c(C4(c2cc2C5(c6c(cccc6)c12)c1c(c2c5cc(C(C)(C)C)cc2)ccc(c1)C(C)(C)C)c1c(ccc(C(C)(C)C)c1)c1c4cc(C(C)(C)C)cc1)cccc3.CCCCC
• Title of publication: A robust pure hydrocarbon derivative based on the (2,1-b)-indenofluorenyl core with high triplet energy level
• Authors of publication: Cyril Poriel; Remi Metivier; Joelle Rault - Berthelot; Damien Thirion; Frederic Barriere; Olivier Jeannin
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 11703
• a: 11.383 ± 0.003 Å
• b: 12.212 ± 0.003 Å
• c: 19.173 ± 0.005 Å
• α: 84.385 ± 0.006°
• β: 88.389 ± 0.011°
• γ: 70.418 ± 0.006°
• Cell volume: 2499 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.203
• Residual factor for significantly intense reflections: 0.1044
• Weighted residual factors for significantly intense reflections: 0.2837
• Weighted residual factors for all reflections included in the refinement: 0.3389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No