Information card for entry 1508685

Structure parameters

• Formula: C17 H24 Br Cl N2 O5 S
• Calculated formula: C17 H24 Br Cl N2 O5 S
• SMILES: BrCC1(OC(CCl)CNS(=O)(=O)c2ccc(N(=O)=O)cc2)CCCCCC1
• Title of publication: Multicomponent approach in the synthesis of 2,2,6-trisubstituted morpholine derivatives.
• Authors of publication: Zhou, Jing; Zhou, Ling; Yeung, Ying-Yeung
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 5250 - 5253
• a: 7.2934 ± 0.0005 Å
• b: 10.8198 ± 0.0007 Å
• c: 26.137 ± 0.0016 Å
• α: 90°
• β: 91.847 ± 0.002°
• γ: 90°
• Cell volume: 2061.5 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• 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: 0.1061
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1608
• Weighted residual factors for all reflections included in the refinement: 0.1778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No