Information card for entry 2219583

Structure parameters

• Chemical name: 1,1-binaphthyl-2,2'-dicarboxylic acid‒urea (1/1)
• Formula: C23 H18 N2 O5
• Calculated formula: C23 H18 N2 O5
• SMILES: O=C(O)c1c(c2ccccc2cc1)c1c(ccc2ccccc12)C(=O)O.C(=O)(N)N
• Title of publication: 1,1'-Binaphthyl-2,2'-dicarboxylic acid‒urea (1/1)
• Authors of publication: Izotova, Lidiya; Ashurov, Jamshid; Talipov, Samat; Ibragimov, Bakhtiyar; Weber, Edwin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1945
• a: 9.256 ± 0.0019 Å
• b: 12.033 ± 0.002 Å
• c: 17.958 ± 0.004 Å
• α: 90°
• β: 102.4 ± 0.03°
• γ: 90°
• Cell volume: 1953.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0551
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes