Information card for entry 4020357

Structure parameters

• Formula: C21 H25 N O6
• Calculated formula: C21 H25 N O6
• SMILES: c1(cc(c2c3c1C[C@H]1[C@]4(CCC(=O)[C@H]([C@@]34CCN1C)O2)O)OC)C(=O)OCC
• 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: 15.2205 ± 0.0013 Å
• b: 6.8785 ± 0.0005 Å
• c: 18.554 ± 0.0017 Å
• α: 90°
• β: 108.506 ± 0.001°
• γ: 90°
• Cell volume: 1842.1 ± 0.3 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No