Information card for entry 7203390

Structure parameters

• Common name: rctt-methylpyrogall(4)arene
• Chemical name: rctt-methylpyrogall[4]arene
• Formula: C16 H16 O6
• Calculated formula: C16 H16 O6
• Title of publication: Resorcinarene configuration and inclusion behaviour: Isolation of a guest free form of pyrogall[4]arene
• Authors of publication: Brown, Philip O.; Enright, Gary D.; Ripmeester, John A.
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 381
• a: 8.8592 ± 0.0017 Å
• b: 9.3271 ± 0.0018 Å
• c: 9.4416 ± 0.0018 Å
• α: 106.968 ± 0.004°
• β: 104.65 ± 0.004°
• γ: 104.616 ± 0.004°
• Cell volume: 675.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0706
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No