Information card for entry 4132835

Structure parameters

• Formula: C48 H24 Br12
• Calculated formula: C48 H24 Br12
• SMILES: c12c(cc(c(c1)Br)C=Cc1c(cc(c(c1)Br)C=Cc1c(cc(c(c1)Br)C=Cc1c(cc(c(c1)Br)C=Cc1c(cc(c(c1)Br)C=Cc1c(cc(c(c1)Br)C=C2)Br)Br)Br)Br)Br)Br
• 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: 9.151 ± 0.003 Å
• b: 16.045 ± 0.005 Å
• c: 17.033 ± 0.004 Å
• α: 101.204 ± 0.007°
• β: 91.626 ± 0.005°
• γ: 103.253 ± 0.006°
• Cell volume: 2380.9 ± 1.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 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: 0.0535
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No