Information card for entry 7216591

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 N,N,N',N'-tetramethylmethylenediamine solvate
• Formula: C52 H58 N6 O2
• Calculated formula: C52 H58 N6 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: 9.0344 ± 0.0002 Å
• b: 6.3416 ± 0.0002 Å
• c: 40.15 Å
• α: 90°
• β: 94.456 ± 0.003°
• γ: 90°
• Cell volume: 2293.34 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1553
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No