Information card for entry 4035968

Structure parameters

• Formula: C19 H16 N2 O4
• Calculated formula: C19 H16 N2 O4
• SMILES: O1c2c(c3n(c(=O)c4c(n3)cccc4)C(CC(=O)OC)C1)cccc2
• Title of publication: One-Pot Synthesis of Diverse Collections of Benzoxazepine and Indolopyrazine Fused to Heterocyclic Systems.
• Authors of publication: Srinivasulu, Vunnam; Shehadeh, Ihsan; Khanfar, Monther A.; Malik, Omar G.; Tarazi, Hamadeh; Abu-Yousef, Imad A; Sebastian, Anusha; Baniowda, Nabil; O'Connor, Matthew John; Al-Tel, Taleb H
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 2
• Pages of publication: 934 - 948
• a: 12.674 ± 0.003 Å
• b: 7.0239 ± 0.0014 Å
• c: 18.455 ± 0.004 Å
• α: 90°
• β: 108.04 ± 0.02°
• γ: 90°
• Cell volume: 1562.1 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• 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: 0.2238
• Residual factor for significantly intense reflections: 0.1689
• Weighted residual factors for significantly intense reflections: 0.455
• Weighted residual factors for all reflections included in the refinement: 0.4844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.576
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No