Information card for entry 2311417

Structure parameters

• Common name: EMTB
• Chemical name: 2-(Benzenecarbothioyloxy)ethyl benzoate
• Formula: C16 H14 O3 S
• Calculated formula: C16 H14 O3 S
• Title of publication: Crystal structures of 2-(benzene-carbo-thio-yloxy)ethyl benzene-carbo-thio-ate and 2-(benzene-carbo-thio-yloxy)ethyl benzoate.
• Authors of publication: Tanaka, Syuto; Masu, Hyuma; Sasanuma, Yuji
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 10
• Pages of publication: 1430 - 1433
• a: 8.8 ± 0.005 Å
• b: 11.403 ± 0.006 Å
• c: 7.506 ± 0.004 Å
• α: 90°
• β: 113.831 ± 0.006°
• γ: 90°
• Cell volume: 689 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No