Information card for entry 8105063

Structure parameters

• Common name: (C10H7)2S
• Formula: C20 H14 S
• Calculated formula: C20 H14 S
• Title of publication: Crystal structure of di(naphthalen-2-yl)sulfane, C20H14S
• Authors of publication: Ma, Wen; Li, Pu-Bo; Liang, Sen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 235
• Journal issue: 1
• Pages of publication: 219 - 220
• a: 31.155 ± 0.003 Å
• b: 5.8419 ± 0.0006 Å
• c: 7.7505 ± 0.0008 Å
• α: 90°
• β: 94.664 ± 0.004°
• γ: 90°
• Cell volume: 1406 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No