Information card for entry 7157087

Structure parameters

• Formula: C56 H58 N2 O10 S2
• Calculated formula: C56 H58 N2 O10 S2
• Title of publication: Expeditious diastereoselective synthesis of medium ring heterocycle-fused chromenes via tandem 8/9-endo-dig and 8-exo-dig hydroalkoxylation-formal-[4 + 2] cycloaddition.
• Authors of publication: Gharpure, Santosh J.; Nanda, Santosh K.; Fartade, Dipak J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 39
• Pages of publication: 8806 - 8810
• a: 10.605 ± 0.0004 Å
• b: 16.0358 ± 0.0005 Å
• c: 16.1366 ± 0.0005 Å
• α: 69.467 ± 0.003°
• β: 72.006 ± 0.003°
• γ: 89.666 ± 0.003°
• Cell volume: 2427.91 ± 0.16 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No