Information card for entry 4506479

Structure parameters

• Formula: C25 H19 N5 O7
• Calculated formula: C25 H19 N5 O7
• SMILES: c1([nH]c2ccccc2[nH+]1)NCc1c(ccc2c1cccc2)O.c1c(cc(cc1N(=O)=O)N(=O)=O)C(=O)[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: 7.5534 ± 0.0007 Å
• b: 12.6592 ± 0.0011 Å
• c: 24.36 ± 0.002 Å
• α: 83.284 ± 0.005°
• β: 86.424 ± 0.006°
• γ: 84.813 ± 0.006°
• Cell volume: 2300.7 ± 0.3 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: 0.1619
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No