Information card for entry 4506476

Structure parameters

• Formula: C24 H24 N6 O8
• Calculated formula: C24 H24 N6 O8
• SMILES: c1(cc(cc(N(=O)=O)c1)C(=O)[O-])N(=O)=O.c1(c(cccc1)O)CNc1[nH]c2c(cccc2)[nH+]1.N(C=O)(C)C
• Title of publication: Charge-Assisted Complexation of Anions of Different Dimensionality by Benzimidazole-Based Receptors Bearing -OH Functionality
• Authors of publication: Gogoi, Abhijit; Das, Gopal
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 4012
• a: 9.7632 ± 0.0008 Å
• b: 11.229 ± 0.001 Å
• c: 12.587 ± 0.001 Å
• α: 84.504 ± 0.006°
• β: 73.247 ± 0.006°
• γ: 71.892 ± 0.006°
• Cell volume: 1255.88 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No