Information card for entry 8106965

Structure parameters

• Formula: C11 H15 N O2 S
• Calculated formula: C11 H15 N O2 S
• Title of publication: Crystal structure of 1,6-ditosyl-1,6-diazecane, C22H30N2O4S2
• Authors of publication: Li, Guo Qiang; Meng, Jiang Ping; Zhou, Xia; Wang, Qing; Xu, Qiang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 2
• Pages of publication: 647 - 648
• a: 13.6316 ± 0.0005 Å
• b: 5.7462 ± 0.0002 Å
• c: 14.1562 ± 0.0005 Å
• α: 90°
• β: 91.758 ± 0.004°
• γ: 90°
• Cell volume: 1108.33 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0547
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No