Information card for entry 4021224

Structure parameters

• Formula: C30 H30 N O P
• Calculated formula: C30 H30 N O P
• SMILES: P(=O)(C/C=C/C(=C1/CCC(CC#N)(C)C1)/c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Palladium-Catalyzed Transformation of Cyclobutanone O-Benzoyloximes to Nitriles via C-C Bond Cleavage
• Authors of publication: Takahiro Nishimura; Yoshiki Nishiguchi; Yasunari Maeda; Sakae Uemura
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 5342 - 5347
• a: 11.4839 ± 0.0001 Å
• b: 13.9771 ± 0.0008 Å
• c: 11.4027 ± 0.0002 Å
• α: 90°
• β: 45.477 ± 0.002°
• γ: 90°
• Cell volume: 1304.93 ± 0.08 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 a 1
• Hall space group symbol: P -2ya
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No