Information card for entry 7206087

Structure parameters

• Common name: Isopropyl anthracene-9-carboxylate
• Formula: C18 H16 O2
• Calculated formula: C18 H16 O2
• SMILES: O=C(OC(C)C)c1c2ccccc2cc2ccccc12
• 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: 9.919 ± 0.002 Å
• b: 8.734 ± 0.002 Å
• c: 18.506 ± 0.003 Å
• α: 90°
• β: 116.75 ± 0.03°
• γ: 90°
• Cell volume: 1431.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.126
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.1757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No