Information card for entry 4021075

Structure parameters

• Formula: C29 H38 Cl N2 O7.5
• Calculated formula: C29 H37 Cl N2 O7.5
• SMILES: N1[C@@H](C[C@@]2([C@H]1ON(c1c2cccc1Cl)C)O)C(=O)O[C@H]1[C@@H](C(=C[C@H]2[C@@]1([C@@H](CC[C@H]2C(=C)C)C)O)C)OC(=O)C.O
• 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: 24.638 ± 0.001 Å
• b: 11.824 ± 0.001 Å
• c: 11.166 ± 0.001 Å
• α: 90°
• β: 112.08°
• γ: 90°
• Cell volume: 3014.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No