Information card for entry 4506474

Structure parameters

• Formula: C14 H14 N4 O4
• Calculated formula: C14 H14 N4 O4
• SMILES: Oc1c(CNc2[nH]c3c([nH+]2)cccc3)cccc1.O=N(=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: 35.231 ± 0.004 Å
• b: 7.2754 ± 0.0008 Å
• c: 24.078 ± 0.002 Å
• α: 90°
• β: 111.71 ± 0.005°
• γ: 90°
• Cell volume: 5733.9 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0955
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No