Information card for entry 4034555

Structure parameters

• Formula: C19 H19 N2 O3
• Calculated formula: C19 H19 N2 O3
• SMILES: O[C@@]12c3c(N4C(=O)[C@@H]5C(=O)N(CC2)[C@]14[C@@](CC)(C5)C=C)cccc3.O[C@]12c3c(N4C(=O)[C@H]5C(=O)N(CC2)[C@@]14[C@](CC)(C5)C=C)cccc3
• Title of publication: A Total Synthesis of (±)-Leuconodines D and E.
• Authors of publication: Zhang, Jing; Han, Fu-She
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 21
• Pages of publication: 13890 - 13896
• a: 7.4919 ± 0.0005 Å
• b: 13.2055 ± 0.0009 Å
• c: 15.9971 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1582.66 ± 0.19 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P c 21 n
• Hall space group symbol: P -2n -2ac
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No