Information card for entry 4508705

Structure parameters

• Chemical name: 1H-Imidazol, 2,2'-(2,5-thiophenediyl)bis[4,5-bis(4-methoxyphenyl)]
• Formula: C44 H48 N4 O8 S
• Calculated formula: C44 H48 N4 O8 S
• SMILES: s1c(c2nc(c([nH]2)c2ccc(OC)cc2)c2ccc(OC)cc2)ccc1c1nc(c([nH]1)c1ccc(OC)cc1)c1ccc(OC)cc1.O=C(C)C.O=C(C)C.O.O
• 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: 17.535 ± 0.003 Å
• b: 25.094 ± 0.005 Å
• c: 20.924 ± 0.004 Å
• α: 90°
• β: 113.45 ± 0.02°
• γ: 90°
• Cell volume: 8447 ± 3 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 2 K
• Number of distinct elements: 5
• 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: 0.172
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 0.72
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No