Information card for entry 4508691

Structure parameters

• Chemical name: Phenol, 2-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-4-nitro 2-Salicylaldehyde clathrate
• Formula: C30 H25 N3 O7
• Calculated formula: C30 H25 N3 O7
• SMILES: O(c1ccc(cc1)c1nc([nH]c1c1ccc(OC)cc1)c1cc(N(=O)=O)ccc1O)C.Oc1c(cccc1)C=O
• 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: 20.256 ± 0.004 Å
• b: 17.013 ± 0.003 Å
• c: 7.942 ± 0.002 Å
• α: 90°
• β: 107.56 ± 0.02°
• γ: 90°
• Cell volume: 2609.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No