Information card for entry 4508692

Structure parameters

• Chemical name: Phenol, 2-[4,5-bis(4-methoxyphenyl)-2-yl]-4-nitro-imidazolium hydrate
• Formula: C23 H19 N3 O5.18
• Calculated formula: C23 H19 N3 O5.185
• 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: 13.486 ± 0.003 Å
• b: 12.28 ± 0.003 Å
• c: 12.404 ± 0.003 Å
• α: 90°
• β: 92.69 ± 0.02°
• γ: 90°
• Cell volume: 2051.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1026
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 0.756
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No