Information card for entry 4132830

Structure parameters

• Formula: C76 H46.88 Cl3.38
• Calculated formula: C76 H46.875 Cl3.375
• Title of publication: Synthesis and Size-Dependent Properties of [12], [16], and [24]Carbon Nanobelts.
• Authors of publication: Povie, Guillaume; Segawa, Yasutomo; Nishihara, Taishi; Miyauchi, Yuhei; Itami, Kenichiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 31
• Pages of publication: 10054 - 10059
• a: 14.5888 ± 0.0002 Å
• b: 17.7841 ± 0.0003 Å
• c: 24.7553 ± 0.0003 Å
• α: 88.1169 ± 0.0012°
• β: 77.0096 ± 0.0012°
• γ: 71.8812 ± 0.0013°
• Cell volume: 5943.27 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123.15 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: 0.1735
• Residual factor for significantly intense reflections: 0.1122
• Weighted residual factors for significantly intense reflections: 0.3374
• Weighted residual factors for all reflections included in the refinement: 0.3797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.337
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No