Information card for entry 7125048

Structure parameters

• Formula: C48 H64 B4 N4 O8
• Calculated formula: C48 H64 B4 N4 O8
• Title of publication: Affinity modulation of photoresponsive hosts for fullerenes: light-gated corannulene tweezers.
• Authors of publication: Barbero, Héctor; Ferrero, Sergio; Álvarez-Miguel, Lucía; Gómez-Iglesias, Patricia; Miguel, Daniel; Álvarez, Celedonio M
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 88
• Pages of publication: 12964 - 12967
• a: 6.4277 ± 0.0003 Å
• b: 10.233 ± 0.0004 Å
• c: 18.9139 ± 0.0007 Å
• α: 90°
• β: 94.954 ± 0.004°
• γ: 90°
• Cell volume: 1239.41 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0894
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1682
• Weighted residual factors for all reflections included in the refinement: 0.1883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No