Information card for entry 7057921

Structure parameters

• Formula: C17 H9 F I N O2
• Calculated formula: C17 H9 F I N O2
• Title of publication: A simple route to tetracyclic oxazepine-fused pyrroles via metal-free [3+2] annulation between dibenzo[b,f][1,4]oxazepines and aqueous succinaldehyde
• Authors of publication: Choudhary, Sachin; Singh, Anoop; Yadav, Jyothi; Mir, Nisar A.; Anthal, Sumati; Kant, Rajni; Kumar, Indresh
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 2
• Pages of publication: 953
• a: 17.5729 ± 0.0013 Å
• b: 9.1432 ± 0.001 Å
• c: 17.8218 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2863.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No