Information card for entry 1503410

Structure parameters

• Formula: C24 H30 N4 O3
• Calculated formula: C24 H30 N4 O3
• Title of publication: Unexpected reactivity of o-nitrosophenol with RCH(2)Br: C-H bond cleavage and annulation to benzoxazoles and benzoxazines (R = Alkynyl).
• Authors of publication: Yao, Wei; Huang, Dejian
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 736 - 738
• a: 10.0799 ± 0.0016 Å
• b: 11.8568 ± 0.0018 Å
• c: 18.339 ± 0.003 Å
• α: 87.936 ± 0.003°
• β: 87.083 ± 0.003°
• γ: 87.037 ± 0.003°
• Cell volume: 2184.8 ± 0.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1391
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.185
• Weighted residual factors for all reflections included in the refinement: 0.209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No