Information card for entry 4020469

Structure parameters

• Formula: C21 H24 N4 O5
• Calculated formula: C21 H24 N4 O5
• SMILES: O=C1NC(=N\C(=O)Nc2ccccc2C(=O)OC(C)C)/NC(=O)C1(CC=C)CC=C
• Authors of publication: Pranjal K. Baruah; Rajesh Gonnade; Usha D. Phalgune; Gangadhar J. Sanjayan
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 6461 - 6467
• a: 12.065 ± 0.009 Å
• b: 13.786 ± 0.01 Å
• c: 14.428 ± 0.01 Å
• α: 98.58 ± 0.03°
• β: 108.43 ± 0.02°
• γ: 100.28 ± 0.02°
• Cell volume: 2185 ± 3 ų
• Cell temperature: 406 ± 2 K
• Ambient diffraction temperature: 406 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No