Information card for entry 2019857

Structure parameters

• Common name: 20-(Naphthalen-1-yl)-19-oxa-8,17-diazapentacyclo[8.7.3.0^1,10^.0^2,7^.0^12,17^]icosa-2(7),3,5-triene-9,18-dione
• Chemical name: 15-(Naphthalen-1-yl)-7,7a,8,9,10,11-hexahydro-6a,12a-(methanoepoxymethano)indolizino[2,3-<i>c</i>]quinoline-6,13(5<i>H</i>)-dione
• Formula: C27 H24 N2 O3
• Calculated formula: C27 H24 N2 O3
• SMILES: N1c2c([C@@]34N5[C@H](C[C@]3(C1=O)[C@@H](OC4=O)c1c3ccccc3ccc1)CCCC5)cccc2.N1c2c([C@]34N5[C@@H](C[C@@]3(C1=O)[C@H](OC4=O)c1c3ccccc3ccc1)CCCC5)cccc2
• Title of publication: Crystal structure of 15-(naphthalen-1-yl)-7,7a,8,9,10,11-hexahydro-6a,12a-(methanoepoxymethano)indolizino[2,3-c]quinoline-6,13(5H)-dione
• Authors of publication: Savithri, M. P.; Suresh, M.; Raghunathan, R.; Raja, R.; SubbiahPandi, A.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 3
• Pages of publication: o150
• a: 9.4184 ± 0.0003 Å
• b: 9.8804 ± 0.0004 Å
• c: 12.5401 ± 0.0005 Å
• α: 95.341 ± 0.002°
• β: 107.535 ± 0.002°
• γ: 99.94 ± 0.002°
• Cell volume: 1082.87 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 0.872
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes