Information card for entry 1508686

Structure parameters

• Formula: C17 H23 Cl N2 O5 S
• Calculated formula: C17 H23 Cl N2 O5 S
• SMILES: ClCC1OC2(CN(S(=O)(=O)c3ccc(N(=O)=O)cc3)C1)CCCCCC2
• 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: 11.4136 ± 0.0011 Å
• b: 11.557 ± 0.0012 Å
• c: 28.331 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3737.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No