Information card for entry 4508689

Structure parameters

• Chemical name: Phenol, 2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-4-nitro
• Formula: C23 H19 N3 O5
• Calculated formula: C23 H19 N3 O5
• SMILES: O(c1ccc(cc1)c1nc([nH]c1c1ccc(OC)cc1)c1cc(N(=O)=O)ccc1O)C
• Title of publication: Chromotropic Behavior of Lophine Nitro-Derivatives
• Authors of publication: Fridman, Natalya; Speiser, Shammai; Kaftory, Menahem
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 2281
• a: 4.535 ± 0.002 Å
• b: 17.557 ± 0.003 Å
• c: 24.498 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1950.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1207
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 0.634
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No