Information card for entry 7125051

Structure parameters

• Formula: C52 H26 N2
• Calculated formula: C52 H26 N2
• 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: 9.1494 ± 0.0011 Å
• b: 8.9306 ± 0.0013 Å
• c: 20.285 ± 0.003 Å
• α: 90°
• β: 92.501 ± 0.011°
• γ: 90°
• Cell volume: 1655.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.3113
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.2137
• Goodness-of-fit parameter for all reflections included in the refinement: 0.789
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No