Information card for entry 4506478

Structure parameters

• Formula: C22 H23 N3 O5
• Calculated formula: C22 H23 N3 O5
• SMILES: c12c(c(ccc2cccc1)O)CNc1[nH]c2c(cccc2)[nH+]1.[O-]C(=O)C.C(=O)(C)O
• 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: 20.5488 ± 0.0008 Å
• b: 8.7943 ± 0.0004 Å
• c: 22.5893 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4082.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No