Information card for entry 4029378

Structure parameters

• Formula: C27 H19 N O2
• Calculated formula: C27 H19 N O2
• Title of publication: Naphthoquinone-directed C-h annulation and csp(3)-h bond cleavage: one-pot synthesis of tetracyclic naphthoxazoles.
• Authors of publication: Wang, Meining; Zhang, Chi; Sun, Li-Ping; Ding, Chunyong; Zhang, Ao
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 10
• Pages of publication: 4553 - 4560
• a: 5.7246 ± 0.001 Å
• b: 10.9332 ± 0.0018 Å
• c: 16.289 ± 0.003 Å
• α: 77.753 ± 0.004°
• β: 86.78 ± 0.004°
• γ: 80.766 ± 0.004°
• Cell volume: 983.1 ± 0.3 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
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.1787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No