Information card for entry 4020506

Structure parameters

• Formula: C15 H17 Cl2 N O5
• Calculated formula: C15 H17 Cl2 N O5
• SMILES: O[C@@H]1[C@@H]2O[C@@H]2C(=O)C2=CC[C@@H]3[C@H]([C@@H]12)C(=O)N(C3=O)CC.ClCCl.O[C@H]1[C@H]2O[C@H]2C(=O)C2=CC[C@H]3[C@@H]([C@H]12)C(=O)N(C3=O)CC.ClCCl
• Authors of publication: Xiaoguang Lei; Nava Zaarur; Michael Y. Sherman; John A. Porco, Jr.
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 6474 - 6483
• a: 13.2845 ± 0.0006 Å
• b: 7.8086 ± 0.0004 Å
• c: 15.4619 ± 0.0007 Å
• α: 90°
• β: 101.82 ± 0.001°
• γ: 90°
• Cell volume: 1569.9 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No