Information card for entry 2010917

Structure parameters

• Chemical name: methyl (1R,2S,3R,4S)-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(OC)[C@]1(NC(=O)c2ccccc2)[C@@H]2CC[C@H]([C@H]1[C@H](O)CO)C2
• 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: 7.187 ± 0.005 Å
• b: 11.72 ± 0.005 Å
• c: 20.258 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1706.4 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes