Information card for entry 4132832

Structure parameters

• Formula: C32 H8 Br8
• Calculated formula: C32 H8 Br8
• SMILES: C1=Cc2cc(c(C=Cc3cc(c(C=Cc4cc(c(C=Cc5cc(c1cc5Br)Br)cc4Br)Br)cc3Br)Br)cc2Br)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: 15.3269 ± 0.0018 Å
• b: 15.3269 ± 0.0018 Å
• c: 6.7369 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1582.6 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No