Information card for entry 7122067

Structure parameters

• Formula: C15 H26 N2 O3 S2 Si
• Calculated formula: C15 H26 N2 O3 S2 Si
• Title of publication: Unveiling epidithiodiketopiperazine as a non-histone arginine methyltransferase inhibitor by chemical protein methylome analyses.
• Authors of publication: Sohtome, Yoshihiro; Shimazu, Tadahiro; Barjau, Joaquin; Fujishiro, Shinya; Akakabe, Mai; Terayama, Naoki; Dodo, Kosuke; Ito, Akihiro; Yoshida, Minoru; Shinkai, Yoichi; Sodeoka, Mikiko
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 66
• Pages of publication: 9202 - 9205
• a: 7.68141 ± 0.00014 Å
• b: 10.8441 ± 0.0002 Å
• c: 23.4756 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1955.47 ± 0.06 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• 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: 0.0278
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No