Information card for entry 8105854

Structure parameters

• Chemical name: (2-bromobenzyl)((1-bromonaphthalen-2-yl)methyl)sulfane
• Formula: C18 H14 Br2 S
• Calculated formula: C18 H14 Br2 S
• Title of publication: Crystal structure of (2-bromobenzyl)((1-bromonaphthalen-2-yl)methyl)sulfane, C18H14Br2S
• Authors of publication: Tan, Nianyuan; Wu, Shuisheng; Huiqiong, Yang; Lan, Donghui; Au, Chak-Tong; Yi, Bing
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 4
• Pages of publication: 795 - 796
• a: 7.1658 ± 0.001 Å
• b: 7.6868 ± 0.0011 Å
• c: 14.971 ± 0.002 Å
• α: 76.328 ± 0.003°
• β: 84.313 ± 0.003°
• γ: 81.952 ± 0.003°
• Cell volume: 791.51 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No