Information card for entry 1504154

Structure parameters

• Formula: C141 H88 F8
• Calculated formula: C141 H88 F8
• SMILES: c12ccccc1C1(c3c2ccc2c3C3(c4c2cccc4)c2cc(c4ccc(cc4)F)ccc2c2ccc(c4ccc(cc4)F)cc32)c2cc(c3ccc(cc3)F)ccc2c2ccc(c3ccc(cc3)F)cc12.CCCCC
• Title of publication: Tuning the optical properties of aryl-substituted dispirofluorene-indenofluorene isomers through intramolecular excimer formation.
• Authors of publication: Thirion, Damien; Poriel, Cyril; Barrière, Frédéric; Métivier, Rémi; Jeannin, Olivier; Rault-Berthelot, Joëlle
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 21
• Pages of publication: 4794 - 4797
• a: 14.2342 ± 0.0008 Å
• b: 16.3982 ± 0.0011 Å
• c: 23.0578 ± 0.0015 Å
• α: 106.176 ± 0.002°
• β: 91.373 ± 0.002°
• γ: 106.571 ± 0.002°
• Cell volume: 4922.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1193
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1698
• Weighted residual factors for all reflections included in the refinement: 0.2013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No