Information card for entry 1543050

Structure parameters

• Formula: C17 H20 N4 O2
• Calculated formula: C17 H20 N4 O2
• SMILES: O1[C@H](C([C@](C2=C1CCCC2)(C#N)C(=O)N)(C#N)C#N)CC(C)C.O1[C@@H](C([C@@](C2=C1CCCC2)(C#N)C(=O)N)(C#N)C#N)CC(C)C
• 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: 11.3656 ± 0.0004 Å
• b: 11.969 ± 0.0005 Å
• c: 13.0198 ± 0.0004 Å
• α: 80.827 ± 0.003°
• β: 85.462 ± 0.003°
• γ: 76.099 ± 0.003°
• Cell volume: 1695.75 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1628
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No