Information card for entry 2300711

Structure parameters

• Formula: C11 H10 O2 S
• Calculated formula: C11 H10 O2 S
• Title of publication: Indium <i>K</i>α radiation from a MetalJet X-ray source: the long way to a successful charge-density investigation.
• Authors of publication: Graw, Nico; Ruth, Paul Niklas; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar
• Journal of publication: Journal of applied crystallography
• Year of publication: 2023
• Journal volume: 56
• Journal issue: Pt 5
• Pages of publication: 1315 - 1321
• a: 5.86 ± 0.002 Å
• b: 8.933 ± 0.002 Å
• c: 18.341 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 960.1 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.01
• Residual factor for significantly intense reflections: 0.01
• Weighted residual factors for all reflections included in the refinement: 0.014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.5134 Å
• Diffraction radiation type: InKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No