Information card for entry 7217815

Structure parameters

• Common name: 2,5-bis(hexyloxy)-1,4-phenylene-bis(1,3-diphenylfulvene) dimer
• Formula: C54 H54 O2
• Calculated formula: C54 H54 O2
• SMILES: O(c1c(cc(OCCCCCC)c(c1)/C=C1\C=C(C=C1c1ccccc1)c1ccccc1)/C=C1/C(=CC(=C1)c1ccccc1)c1ccccc1)CCCCCC
• Title of publication: Symmetrical Bis(fulvene) Chromophores: Model Compounds for Acceptor-Donor-Acceptor Dye Architectures
• Authors of publication: Shurdha, Endrit; Repasy, Brianne K.; Miller, Hannah A.; Dees, Kelsey; Iacono, Scott Thomas; Ball, David W.; Balaich, Gary James
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 10.0302 ± 0.0019 Å
• b: 14.195 ± 0.003 Å
• c: 15.533 ± 0.003 Å
• α: 79.16 ± 0.002°
• β: 75.233 ± 0.002°
• γ: 77.829 ± 0.002°
• Cell volume: 2069.2 ± 0.7 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: 0.0825
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No