Information card for entry 4020708

Structure parameters

• Formula: C18 H30 N2 O5
• Calculated formula: C18 H30 N2 O5
• SMILES: O=C1N2[C@H](CC[C@H]2CC[C@@H]1NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C
• Title of publication: An Efficient Synthesis of the Constrained Peptidomimetic 2-Oxo-3-(N-9-fluorenyloxy-carbonylamino)- 1-azabicyclo[4.3.0]nonane-9-carboxylic Acid from Pyroglutamic Acid
• Authors of publication: Pijus Kumar Mandal; Kumar K. Kaluarachchi; Douglas Ogrin; Simon G. Bott; John S. McMurray
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 10128 - 10131
• a: 9.808 ± 0.002 Å
• b: 11.955 ± 0.002 Å
• c: 17.065 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2001 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction 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: 0.0491
• Weighted residual factors for significantly intense reflections: 0.099
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No