Information card for entry 7227188

Structure parameters

• Formula: C23 H27 N O5 S
• Calculated formula: C23 H27 N O5 S
• SMILES: c1(ccc(cc1)C)S(=O)(=O)N1c2cc(cc(c2C2=C(C(CC)OCC2)C1)OC)OC
• Title of publication: Sequential hydroarylation/Prins cyclization: An efficient strategy for the synthesis of angularly fused tetrahydro-2H-pyrano[3,4-c]quinolines
• Authors of publication: Basireddy, Venkata Subba Reddy; reddy, rajashekhar; Kumar, ravi; Yarlagadda, suresh; reddy, ravikumar; Yadav, Jhillu S.; Balasubramanian, Sridhar
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 13.2828 ± 0.0014 Å
• b: 14.5265 ± 0.0015 Å
• c: 22.502 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4341.8 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.0762
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.1672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No