Information card for entry 7211921

Structure parameters

• Formula: C21 H25 N5 O7
• Calculated formula: C21 H25 N5 O7
• Title of publication: Recognition study of substituted benzoic acids by 7-substituted pterin receptors in solution and solid phases
• Authors of publication: Goswami, Shyamaprosad; Hazra, Anita; Jana, Subrata; Fun, Hoong-Kun
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 1501
• a: 6.9162 ± 0.0003 Å
• b: 22.0035 ± 0.0009 Å
• c: 14.3569 ± 0.0005 Å
• α: 90°
• β: 90.319 ± 0.002°
• γ: 90°
• Cell volume: 2184.81 ± 0.15 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.1143
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.2113
• Weighted residual factors for all reflections included in the refinement: 0.2302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No