Information card for entry 2237231

Structure parameters

• Chemical name: 14-Ethoxy-4,6-dimethyl-9-phenyl-8,12-dioxa-4,6- diazatetracyclo[8.8.0.0^2,7^.0^13,18^]octadeca-2(7),13,15,17-tetraene- 3,5,11-trione
• Formula: C23 H20 N2 O6
• Calculated formula: C23 H20 N2 O6
• SMILES: O1C2N(C(=O)N(C(=O)C=2[C@@H]2c3c(OC(=O)[C@@H]2[C@H]1c1ccccc1)c(OC)ccc3)C)C.O1C2N(C(=O)N(C(=O)C=2[C@H]2c3c(OC(=O)[C@H]2[C@@H]1c1ccccc1)c(OC)ccc3)C)C
• Title of publication: 14-Ethoxy-4,6-dimethyl-9-phenyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.0^2,7^.0^13,18^]octadeca-2(7),13,15,17-tetraene-3,5,11-trione
• Authors of publication: Jagadeesan, G.; Kannan, D.; Bakthadoss, M.; Aravindhan, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o80
• a: 16.8362 ± 0.0009 Å
• b: 8.1692 ± 0.0004 Å
• c: 14.44 ± 0.0008 Å
• α: 90°
• β: 98 ± 0.003°
• γ: 90°
• Cell volume: 1966.72 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes