Information card for entry 7154614

Structure parameters

• Formula: C17 H28 N2 O5 Se Si
• Calculated formula: C17 H28 N2 O5 Se Si
• SMILES: C1(=O)NC(=O)N(C=C1)[C@H]1[C@H]2[C@@H]([C@H](O1)C[Se]CC[Si](C)(C)C)OC(O2)(C)C
• Title of publication: An efficient method for the synthesis of selenium modified nucleosides: its application in the synthesis of Se-adenosyl-l-selenomethionine (SeAM).
• Authors of publication: Kogami, Masakazu; Koketsu, Mamoru
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 36
• Pages of publication: 9405 - 9417
• a: 7.621 ± 0.002 Å
• b: 13.163 ± 0.004 Å
• c: 23.299 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2337.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1599
• Residual factor for significantly intense reflections: 0.1062
• Weighted residual factors for significantly intense reflections: 0.2754
• Weighted residual factors for all reflections included in the refinement: 0.3156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No