Information card for entry 4508694

Structure parameters

• Chemical name: Phenol, 2-[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]-4-nitro 1,4-Dioxane chlathrate
• Formula: C25 H23 N3 O4
• Calculated formula: C25 H23 N3 O4
• 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: 8.095 ± 0.002 Å
• b: 9.525 ± 0.002 Å
• c: 14.306 ± 0.003 Å
• α: 93.67 ± 0.01°
• β: 96.6 ± 0.01°
• γ: 96.91 ± 0.01°
• Cell volume: 1084.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0741
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No