Information card for entry 1505273

Structure parameters

• Formula: C16 H19 N O4
• Calculated formula: C16 H19 N O4
• SMILES: O=C1N(C(=O)[C@@H]2[C@H]1CC=C1[C@@H]2CC[C@H]2[C@@H]1CCOC2=O)C.O=C1N(C(=O)[C@H]2[C@@H]1CC=C1[C@H]2CC[C@@H]2[C@H]1CCOC2=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: 10.9278 ± 0.0012 Å
• b: 10.6803 ± 0.0011 Å
• c: 24.621 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2873.6 ± 0.6 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No