Information card for entry 4511621

Structure parameters

• Formula: C19 H16 O3
• Calculated formula: C19 H16 O3
• SMILES: Oc1ccc(C(c2ccc(O)cc2)c2ccc(O)cc2)cc1
• Title of publication: Synthesis and Solid-State Self-Assembly of Polyphenols
• Authors of publication: Venkataramanan, Balasubramaniam; James, Wong Ling Guan; Vittal, Jagadese J.; Suresh, Valiyaveettil
• Journal of publication: Crystal Growth & Design
• Year of publication: 2004
• Journal volume: 4
• Journal issue: 3
• Pages of publication: 553
• a: 12.428 ± 0.002 Å
• b: 18.546 ± 0.003 Å
• c: 7.5612 ± 0.0012 Å
• α: 90°
• β: 115 ± 0.003°
• γ: 90°
• Cell volume: 1579.5 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0983
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No