Information card for entry 7206086

Structure parameters

• Common name: Isopropyl anthracene-9-carboxylate dimer
• Formula: C36 H32 O4
• Calculated formula: C36 H32 O4
• SMILES: C12(c3ccccc3C(c3ccccc13)C1(c3ccccc3C2c2ccccc12)C(=O)OCCC)C(=O)OCCC
• Title of publication: Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds
• Authors of publication: Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 13
• Pages of publication: 4376
• a: 11.368 ± 0.002 Å
• b: 15.431 ± 0.003 Å
• c: 15.462 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2712.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1447
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1841
• Weighted residual factors for all reflections included in the refinement: 0.2109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No