Information card for entry 2010916

Structure parameters

• Chemical name: methyl (1S,2S,3R,4R)-2-benzamido-3-(1,2-dihydroxyethyl)bicyclo [2.2.1]heptane-2-carboxylate
• Formula: C18 H23 N O5
• Calculated formula: C18 H23 N O5
• SMILES: O(C(=O)[C@]1(NC(=O)c2ccccc2)[C@H]2CC[C@@H]([C@H]1[C@H](O)CO)C2)C
• Title of publication: Two new conformationally restricted 4,5-dihydroxynorvaline analogues with a norbornane skeleton
• Authors of publication: Buñuel, Elena; Cativiela, Carlos; Díaz-de-Villegas, María D.; Gálvez, José A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 5
• Pages of publication: 587 - 591
• a: 9.323 ± 0.005 Å
• b: 18.038 ± 0.005 Å
• c: 10.968 ± 0.005 Å
• α: 90°
• β: 106.57 ± 0.005°
• γ: 90°
• Cell volume: 1767.9 ± 1.3 ų
• Cell temperature: 293 ± 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 significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes