Information card for entry 7218220

Structure parameters

• Common name: C-propylpyrogallol[4]arene with 1-(2-pyridylazo)-2-napthol
• Formula: C72 H80 N6 O17
• Calculated formula: C72 H78 N6 O17
• Title of publication: Cocrystallization of pyrogallol[4]arenes with 1-(2-pyridylazo)-2-naphthol
• Authors of publication: Pfeiffer, Constance R.; Fowler, Drew A.; Teat, Simon; Atwood, Jerry L.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 47
• Pages of publication: 10760
• a: 12.6569 ± 0.001 Å
• b: 15.762 ± 0.0013 Å
• c: 18.771 ± 0.002 Å
• α: 109.665 ± 0.001°
• β: 92.113 ± 0.001°
• γ: 111.92 ± 0.001°
• Cell volume: 3214.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0691
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No