Information card for entry 4020979

Structure parameters

• Formula: C9 H13 N O2
• Calculated formula: C9 H13 N O2
• SMILES: C1(=O)CCCCC2=CCON1C2
• Title of publication: Type 2 Intramolecular N-Acylnitroso Diels-Alder Reaction: Scope and Application to the Synthesis of Medium Ring Lactams
• Authors of publication: Steven M. Sparks; Chun P. Chow; Liang Zhu; Kenneth J. Shea
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 3025 - 3035
• a: 24.2267 ± 0.0016 Å
• b: 6.0297 ± 0.0004 Å
• c: 11.6827 ± 0.0008 Å
• α: 90°
• β: 99.523 ± 0.001°
• γ: 90°
• Cell volume: 1683.1 ± 0.2 ų
• Cell temperature: 158 K
• Ambient diffraction temperature: 158 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No