Information card for entry 4022413

Structure parameters

• Chemical name: Camphanic acid 3-Benzyl-2-oxo-hexahydro-cyclopentaoxazol-4-yl ester
• Formula: C23 H27 N O6
• Calculated formula: C23 H27 N O6
• SMILES: N1(C(=O)O[C@@H]2CC[C@@H](OC(=O)[C@@]34OC(=O)[C@@](C3(C)C)(CC4)C)[C@H]12)Cc1ccccc1
• Title of publication: Synthesis of Cyclopentane Amide DNA (cpa-DNA) and Its Pairing Properties
• Authors of publication: Dae-Ro Ahn; Markus Mosimann; Christian J. Leumann
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2003
• Journal volume: 68
• Pages of publication: 7693 - 7699
• a: 9.6737 ± 0.0019 Å
• b: 11.448 ± 0.005 Å
• c: 10.401 ± 0.002 Å
• α: 90°
• β: 109.83 ± 0.02°
• γ: 90°
• Cell volume: 1083.5 ± 0.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 0.785
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No