Information card for entry 4512727

Structure parameters

• Formula: C36 H28 O6
• Calculated formula: C36 H28 O6
• Title of publication: Cocrystallization of 2,3-Dihydroxynaphthalene with Itspara-,meta-, andortho-Ditoluates: Insight into Cocrystal Formation and Clues for the Construction of Supramolecular Assemblies Capable of Intermolecular Acyl Group Transfer Reactivity
• Authors of publication: Tamboli, Majid I.; Bahadur, Vir; Gonnade, Rajesh G.; Shashidhar, Mysore S.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 1226
• a: 13.0503 ± 0.0004 Å
• b: 11.4707 ± 0.0003 Å
• c: 18.8224 ± 0.0005 Å
• α: 90°
• β: 91.808 ± 0.001°
• γ: 90°
• Cell volume: 2816.24 ± 0.14 ų
• Cell temperature: 149 ± 2 K
• Ambient diffraction temperature: 149 ± 2 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No