Information card for entry 4508697

Structure parameters

• Chemical name: 1H-Imidazole, 2,2'-(1,4-phenylene)bis[1-methyl-4,5-diphenyl] Methanol chlathrate
• Formula: C40 H38 N4 O2
• Calculated formula: C40 H38 N4 O2
• SMILES: c1(ccccc1)c1c(c2ccccc2)nc(n1C)c1ccc(c2nc(c(c3ccccc3)n2C)c2ccccc2)cc1.OC.OC
• Title of publication: Structures and Chromogenic Properties of Bisimidazole Derivatives
• Authors of publication: Fridman, N.; Speiser, S.; Kaftory, M.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 7
• Pages of publication: 1653
• a: 12.762 ± 0.003 Å
• b: 12.001 ± 0.002 Å
• c: 12.175 ± 0.002 Å
• α: 90°
• β: 117.98 ± 0.02°
• γ: 90°
• Cell volume: 1646.7 ± 0.6 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: 0.2159
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 0.729
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No