Information card for entry 4038446

Structure parameters

• Formula: C21 H15 Cl N2 O4
• Calculated formula: C21 H15 Cl N2 O4
• Title of publication: One-pot, multicomponent, diastereoselective, green synthesis of 3,4-dihydro-2H-benzo[b][1,4]oxazine analogues.
• Authors of publication: Kushwaha, Narva Deshwar; Kushwaha, Babita; Karpoormath, Rajshekhar V.; Mahlalela, Mavela Cleopus; Shinde, Suraj Raosaheb
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 9.5913 ± 0.0001 Å
• b: 11.3803 ± 0.0002 Å
• c: 17.0706 ± 0.0002 Å
• α: 90°
• β: 100.599 ± 0.001°
• γ: 90°
• Cell volume: 1831.5 ± 0.04 ų
• Cell temperature: 149.98 K
• Ambient diffraction temperature: 149.98 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No