Information card for entry 1543049

Structure parameters

• Formula: C22 H26 N4 O4 S
• Calculated formula: C22 H26 N4 O4 S
• SMILES: S(=O)(C)C.O1[C@H]([C@@]2(C(=NC(=O)[C@@]2([C@H]2[C@@]1(OC)CCCC2)C#N)N)C#N)c1ccccc1.S(=O)(C)C.O1[C@@H]([C@]2(C(=NC(=O)[C@]2([C@@H]2[C@]1(OC)CCCC2)C#N)N)C#N)c1ccccc1
• Title of publication: Diastereoselective Cascade Assembly of Functionalized Pyrano[3,4-c]pyrrole Derivatives.
• Authors of publication: Ievlev, Mikhail Yu; Ershov, Oleg V.; Tafeenko, Viktor A.
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 8
• Pages of publication: 1940 - 1943
• a: 9.0546 ± 0.0004 Å
• b: 11.0539 ± 0.0004 Å
• c: 12.5393 ± 0.0005 Å
• α: 82.698 ± 0.003°
• β: 74.104 ± 0.003°
• γ: 71.775 ± 0.003°
• Cell volume: 1145.32 ± 0.08 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.0675
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No