Information card for entry 7216589

Structure parameters

• Chemical name: 3-{2-[2-(3-hydroxy-3,3-diphenyl-prop-1-ynyl)-phenylazo]-phenyl}-1,1- diphenyl-prop-2-yn-1-ol N,N,N',N'-tetramethyethylenediamine toluene solvate
• Formula: C62 H62 N4 O2
• Calculated formula: C62 H62 N4 O2
• Title of publication: Chromogenic guest-responsive host compounds which allow rapid guest screening
• Authors of publication: Scott, Janet L.; Downie, Andrew P.; Asami, Masaya; Tanaka, Koichi
• Journal of publication: CrystEngComm
• Year of publication: 2002
• Journal volume: 4
• Journal issue: 96
• Pages of publication: 580
• a: 9.4585 ± 0.0002 Å
• b: 10.2286 ± 0.0002 Å
• c: 15.4751 ± 0.0004 Å
• α: 71.744 ± 0.001°
• β: 87.438 ± 0.001°
• γ: 66.696 ± 0.001°
• Cell volume: 1300.42 ± 0.05 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.174
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.2403
• Weighted residual factors for all reflections included in the refinement: 0.2911
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No