Information card for entry 4030323

Structure parameters

• Formula: C19 H25 N3 O4
• Calculated formula: C19 H25 N3 O4
• SMILES: O=C1N(c2ccccc2)[C@H](O)[C@@H]2N1N([C@@H](C=C2)CC)C(=O)OC(C)(C)C
• Title of publication: Solvent- and Catalyst-Free Synthesis of Nitrogen-Containing Bicycles through Hemiaminal Formation/Diastereoselective Hetero-Diels-Alder Reaction with Diazenes.
• Authors of publication: Crouillebois, Laurence; Pantaine, Loïc; Marrot, Jérôme; Coeffard, Vincent; Moreau, Xavier; Greck, Christine
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 80
• Journal issue: 1
• Pages of publication: 595
• a: 6.9301 ± 0.0005 Å
• b: 15.6506 ± 0.0012 Å
• c: 22.801 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2473 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1195
• Residual factor for significantly intense reflections: 0.0872
• Weighted residual factors for significantly intense reflections: 0.2445
• Weighted residual factors for all reflections included in the refinement: 0.2656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No