Information card for entry 7220497

Structure parameters

• Common name: oxazine
• Formula: C18 H12 F N O3
• Calculated formula: C18 H12 F N O3
• SMILES: c12c(C(=O)C3=C(C1=O)CN(c1ccc(F)cc1)CO3)cccc2
• Title of publication: An efficient and confluent approach for the synthesis of novel 3,4-dihydro-2H-naphtho[2,3-e][1,3]oxazine-5,10-dione derivatives by a three component reaction in ionic liquid
• Authors of publication: Khanna, Garima; Aggarwal, Komal; Khurana, Jitender
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 7.6164 ± 0.0005 Å
• b: 8.17 ± 0.0008 Å
• c: 12.1539 ± 0.0012 Å
• α: 92.548 ± 0.008°
• β: 103.893 ± 0.008°
• γ: 108.383 ± 0.008°
• Cell volume: 690.75 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No