Information card for entry 1555428

Structure parameters

• Formula: C15 H12 Cl2 O S2
• Calculated formula: C15 H12 Cl2 O S2
• Title of publication: Synthesis of α,α-Disulfenylated Aldehydes via Oxidative Transformation of Tertiary Amines.
• Authors of publication: Huang, Xin; Wang, Jichao; Ni, Zhangqin; Wang, Sichang; Pan, Yuanjiang
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 21
• Pages of publication: 5488 - 5491
• a: 6.9371 ± 0.0004 Å
• b: 9.8082 ± 0.0006 Å
• c: 22.3442 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1520.31 ± 0.15 ų
• Cell temperature: 171.5 K
• Ambient diffraction temperature: 171.5 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No