Information card for entry 1551491

Structure parameters

• Formula: C30 H20
• Calculated formula: C30 H20
• SMILES: c1cc2c3ccc(c4ccc(cc4)c4ccc(cc4)c4ccc(cc4)c1cc2)cc3
• Title of publication: Efficient room-temperature synthesis of a highly strained carbon nanohoop fragment of buckminsterfullerene
• Authors of publication: Paul J. Evans; Evan R. Darzi; Ramesh Jasti
• Journal of publication: Nature Chemistry
• Year of publication: 2014
• Journal volume: 6
• Pages of publication: 404 - 408
• a: 9.8337 ± 0.0002 Å
• b: 11.6263 ± 0.0003 Å
• c: 35.5613 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4065.71 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 2
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No