Information card for entry 1508687

Structure parameters

• Formula: C18 H23 Cl N2 O7 S
• Calculated formula: C18 H23 Cl N2 O7 S
• SMILES: ClCC1OC2(CN(S(=O)(=O)c3ccc(N(=O)=O)cc3)C1)CCC(OC(=O)C)CC2
• 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: 33.128 ± 0.004 Å
• b: 11.5838 ± 0.0013 Å
• c: 10.9008 ± 0.0012 Å
• α: 90°
• β: 106.391 ± 0.002°
• γ: 90°
• Cell volume: 4013.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No