Information card for entry 4021281

Structure parameters

• Formula: C42 H38 N2 O2
• Calculated formula: C42 H38 N2 O2
• SMILES: C1(C=CCC=C1)(C(=O)N(c1c(cccc1)C(=NOC(c1ccccc1)(c1ccccc1)c1ccccc1)C)Cc1ccccc1)C
• Title of publication: Approach to 3-Aminoindolin-2-ones via Oxime Ether Functionalized Carbamoylcyclohexadienes
• Authors of publication: A. Franco Bella; Alexandra M. Z. Slawin; John C. Walton
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 5926 - 5933
• a: 8.4178 ± 0.0015 Å
• b: 12.781 ± 0.002 Å
• c: 16.416 ± 0.003 Å
• α: 84.841 ± 0.003°
• β: 83.997 ± 0.003°
• γ: 72.819 ± 0.003°
• Cell volume: 1674.9 ± 0.5 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 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