Information card for entry 7154966

Structure parameters

• Formula: C35 H23 N
• Calculated formula: C35.04 H23.04 N0.96
• Title of publication: Synthesis and characterization of a highly strained donor-acceptor nanohoop.
• Authors of publication: Van Raden, J. M.; Darzi, E. R.; Zakharov, L. N.; Jasti, R.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 5721 - 5727
• a: 19.3483 ± 0.0006 Å
• b: 19.3483 ± 0.0006 Å
• c: 6.2252 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2018.22 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No