Information card for entry 2238038

Structure parameters

• Chemical name: 8,15-Dioxa-10,13-diazatetracyclo[14.4.0.0^2,7^.0^9,14^]icosa-1(16),2,4,6,9(14),10,12,17,19-nonaene
• Formula: C16 H10 N2 O2
• Calculated formula: C16 H10 N2 O2
• SMILES: c1ccc2c(c1)oc1nccnc1oc1c2cccc1
• Title of publication: 8,15-Dioxa-10,13-diazatetracyclo[14.4.0.0^2,7^.0^9,14^]icosa-1(16),2,4,6,9(14),10,12,17,19-nonaene
• Authors of publication: Srinivasan, Thothadri; Kalpana, Venkatesan; Rajakumar, Perumal; Velmurugan, Devadasan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o813 - o814
• a: 14.429 ± 0.003 Å
• b: 10.162 ± 0.002 Å
• c: 8.3313 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1221.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes