Information card for entry 7125049

Structure parameters

• Formula: C40 H26 N2
• Calculated formula: C40 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: 3.9995 ± 0.0003 Å
• b: 9.9251 ± 0.0009 Å
• c: 17.4542 ± 0.0014 Å
• α: 106.27 ± 0.007°
• β: 91.672 ± 0.006°
• γ: 92.388 ± 0.007°
• Cell volume: 663.92 ± 0.1 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.1363
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No