Information card for entry 4021076

Structure parameters

• Formula: C17 H19 Cl N2 O5
• Calculated formula: C17 H19 Cl N2 O5
• SMILES: N1(O[C@H]2N([C@H]3C[C@]2(c2cccc(c12)Cl)OC3=O)C(=O)OC(C)(C)C)C
• Title of publication: Full Stereochemical Assignment and Synthesis of the Potent Anthelmintic Pyrrolobenzoxazine Natural Product CJ-12662
• Authors of publication: Charles Didier; Douglas J. Critcher; Nigel D. Walshe; Yasuhiro Kojima; Yuji Yamauchi; Anthony G. M. Barrett
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 7875 - 7879
• a: 8.904 ± 0.004 Å
• b: 11.174 ± 0.006 Å
• c: 9.58 ± 0.005 Å
• α: 90°
• β: 112.09 ± 0.02°
• γ: 90°
• Cell volume: 883 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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