Information card for entry 4020664

Structure parameters

• Formula: C12 H15 N O3
• Calculated formula: C12 H15 N O3
• SMILES: N1(c2cc(OC)cc(OC)c2)C(=O)CCC1
• Title of publication: Ring-Expanding Reaction of Cyclopropyl Amides with Triphenylphosphine and Carbon Tetrahalide
• Authors of publication: Yong-Hua Yang; Min Shi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 8645 - 8648
• a: 8.4864 ± 0.0011 Å
• b: 8.5814 ± 0.0011 Å
• c: 8.6437 ± 0.0012 Å
• α: 98.452 ± 0.002°
• β: 101.45 ± 0.002°
• γ: 114.134 ± 0.002°
• Cell volume: 544.4 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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