Information card for entry 1503767

Structure parameters

• Formula: C10 H11 N S2
• Calculated formula: C10 H11 N S2
• SMILES: S1C(=S)N(CC1)Cc1ccccc1
• Title of publication: Unexpected orthogonality of S-benzoxazolyl and S-thiazolinyl glycosides: application to expeditious oligosaccharide assembly.
• Authors of publication: Kaeothip, Sophon; Pornsuriyasak, Papapida; Rath, Nigam P.; Demchenko, Alexei V.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 799 - 802
• a: 8.0126 ± 0.001 Å
• b: 9.7287 ± 0.0011 Å
• c: 12.6512 ± 0.0012 Å
• α: 90°
• β: 91.24 ± 0.005°
• γ: 90°
• Cell volume: 985.96 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0327
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No