Information card for entry 4020825

Structure parameters

• Formula: C27 H27 Cl N2 O4
• Calculated formula: C27 H27 Cl N2 O4
• SMILES: C1(=O)N(C(=O)[C@H]([C@@H](c2ccc(cc2)Cl)O)Cc2ccccc2)N([C@H]([C@@H](c2ccccc2)O1)C)C
• Title of publication: Toward the Development of a Structurally Novel Class of Chiral Auxiliaries. Conformational Properties of the Aldol Adducts of Oxadiazinones: Observation of Unusual Shielding Effects
• Authors of publication: James R. Burgeson; Matthew K. Renner; Ingo Hardt; Gregory M. Ferrence; Jean M. Standard; Shawn R. Hitchcock
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 727 - 734
• a: 6.7469 ± 0.0003 Å
• b: 15.7432 ± 0.0008 Å
• c: 23.136 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2457.5 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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