Information card for entry 1544979

Structure parameters

• Common name: Azidocyclopentane
• Formula: C24 H27 N3 O5
• Calculated formula: C24 H27 N3 O5
• SMILES: O(c1ccc([C@H]2CC([C@](N=N#N)(c3ccccc3)C2)(C(=O)OCC)C(=O)OCC)cc1)C.O(c1ccc([C@@H]2CC([C@@](N=N#N)(c3ccccc3)C2)(C(=O)OCC)C(=O)OCC)cc1)C
• Title of publication: Lewis Acid Catalyzed Diastereoselective Cycloaddition Reactions of Donor-Acceptor Cyclopropanes and Vinyl Azides: Synthesis of Functionalized Azidocyclopentane and Tetrahydropyridine Derivatives.
• Authors of publication: Dey, Raghunath; Banerjee, Prabal
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 2
• Pages of publication: 304 - 307
• a: 8.6521 ± 0.0003 Å
• b: 31.6804 ± 0.0012 Å
• c: 8.7706 ± 0.0003 Å
• α: 90°
• β: 106.944 ± 0.001°
• γ: 90°
• Cell volume: 2299.68 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.158
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.2005
• Weighted residual factors for all reflections included in the refinement: 0.2325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No