Information card for entry 7216592

Structure parameters

• Chemical name: 3-{3-[3-(3-hydroxy-3,3-diphenyl-prop-1-ynyl)-phenylazo]-phenyl}-1, 1-diphenyl-prop-2-yn-1-ol N,N,N',N'-tetramethylethylenediamine dichloromethane solvate
• Formula: C49 H48 Cl2 N4 O2
• Calculated formula: C49 H48 Cl2 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: 6.3341 ± 0.0002 Å
• b: 10.972 ± 0.0003 Å
• c: 16.0192 ± 0.0005 Å
• α: 104.947 ± 0.001°
• β: 94.277 ± 0.001°
• γ: 93.557 ± 0.002°
• Cell volume: 1068.81 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1114
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.187
• Weighted residual factors for all reflections included in the refinement: 0.21
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No