Information card for entry 4020662

Structure parameters

• Common name: aru18f2
• Formula: C26 H17 Br Cl N O3
• Calculated formula: C24 H17 Br Cl N O3
• Title of publication: Investigation of the Diels-Alder Cycloadditions of 2(H)-1,4-Oxazin-2-ones
• Authors of publication: Kamyar Afarinkia; Akmal Bahar; Michael J. Bearpark; Yésica García-Ramos; Andrea Ruggiero; Judi Neuss; Maushami Vyas
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 9529 - 9537
• a: 12.7087 ± 0.0007 Å
• b: 10.1688 ± 0.0006 Å
• c: 15.6737 ± 0.0009 Å
• α: 90°
• β: 99.455 ± 0.003°
• γ: 90°
• Cell volume: 1998 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No