Information card for entry 8104664

Structure parameters

• Formula: C26 H22 N4 O2 S2
• Calculated formula: C26 H22 N4 O2 S2
• Title of publication: The crystal structure of N,N′-(Disulfanediyldi-2,1-phenylene)di(6′-methylpyridine)-2-carboxamide, C26H22N4O2S2
• Authors of publication: Xin, Nana; Zheng, Jun; He, Qingpeng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 5
• Pages of publication: 1055 - 1057
• a: 7.9495 ± 0.0007 Å
• b: 11.2494 ± 0.0012 Å
• c: 13.7829 ± 0.0013 Å
• α: 81.433 ± 0.002°
• β: 76.536 ± 0.001°
• γ: 82.641 ± 0.002°
• Cell volume: 1179.7 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1145
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.196
• Weighted residual factors for all reflections included in the refinement: 0.2189
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No