Information card for entry 4512997

Structure parameters

• Common name: C-hexylpyrogallol[4]arene with anthraldehyde
• Formula: C153.5 H215.5 O33
• Calculated formula: C153.5 H215.5 O33
• Title of publication: Investigating Properties and Trends of Cocrystals Composed of Pyrogallol[4]arenes and Anthracene-Based Fluorescent Probes
• Authors of publication: Pfeiffer, Constance R.; Atwood, Stuart G.; Samadello, Luca; Atwood, Jerry L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 2958
• a: 19.7677 ± 0.0017 Å
• b: 20.5845 ± 0.0018 Å
• c: 20.8045 ± 0.0018 Å
• α: 98.145 ± 0.001°
• β: 104.042 ± 0.001°
• γ: 110.718 ± 0.001°
• Cell volume: 7436.1 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.21
• Residual factor for significantly intense reflections: 0.1043
• Weighted residual factors for significantly intense reflections: 0.3036
• Weighted residual factors for all reflections included in the refinement: 0.3868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No