Information card for entry 1505274

Structure parameters

• Formula: C16 H19 N O4
• Calculated formula: C16 H19 N O4
• SMILES: N1(C(=O)[C@H]2CC=C3[C@H]4CCOC(=O)[C@H]4CC[C@H]3[C@H]2C1=O)C.N1(C(=O)[C@@H]2CC=C3[C@@H]4CCOC(=O)[C@@H]4CC[C@@H]3[C@@H]2C1=O)C
• Title of publication: Diene-transmissive cycloadditions: control of monocycloaddition by self-assembly on a Lewis acid template.
• Authors of publication: Souweha, Michael Santos; Arab, Akram; ApSimon, Megan; Fallis, Alex G.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 4
• Pages of publication: 615 - 618
• a: 7.434 ± 0.003 Å
• b: 11.335 ± 0.005 Å
• c: 16.304 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1373.8 ± 1 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No