Information card for entry 7050810

Structure parameters

• Chemical name: 3-{4-[4-(3-hydroxy-3,3-diphenyl-prop-1-ynyl)-phenylazo]-phenyl}-1,1-diphenyl- prop-2-yn-1-ol DMF solvate
• Formula: C48 H44 N4 O4
• Calculated formula: C48 H44 N4 O4
• Title of publication: A novel chromogenic host compound that shows sensitive color change upon inclusion crystallization
• Authors of publication: Tanaka, Koichi; Asami, Masaya; Scott, Janet L.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 4
• Pages of publication: 378 - 380
• a: 8.8345 ± 0.0001 Å
• b: 12.1223 ± 0.0001 Å
• c: 19.1156 ± 0.0001 Å
• α: 102.698 ± 0.001°
• β: 93.471 ± 0.001°
• γ: 97.473 ± 0.001°
• Cell volume: 1971.72 ± 0.03 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1061
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No