Information card for entry 4020356

Structure parameters

• Formula: C19 H25 N O8
• Calculated formula: C19 H25 N O8
• SMILES: c1(cc(c2c3c1C[C@@H]1[C@@]4(CCC(=O)[C@@H]([C@]34CC[NH+]1C)O2)O)OC)C(=O)[O-].O.O
• Authors of publication: Michael L. Wilson; Patrick J. Carroll; David R. Dalton
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 6492 - 6495
• a: 9.6172 ± 0.0009 Å
• b: 10.6768 ± 0.001 Å
• c: 18.0297 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1851.3 ± 0.3 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No