Information card for entry 2010385

Structure parameters

• Formula: C23 H23 N O3
• Calculated formula: C23 H23 N O3
• SMILES: O1[C@@]2(N(C[C@@H]3[C@H]4CC[C@@H]([C@H]13)C4)C(=O)c1c(O2)cccc1)c1ccc(cc1)C.O1[C@]2(N(C[C@H]3[C@@H]4CC[C@H]([C@@H]13)C4)C(=O)c1c(O2)cccc1)c1ccc(cc1)C
• Title of publication: 5a<i>r</i>-<i>p</i>-Tolyl-6a<i>t</i>,7<i>t</i>,8,9,10<i>t</i>,10a<i>t</i>-hexahydro-11<i>H</i>,13<i>H</i>-7,10-methano[1,3]benzoxazino[2,3-<i>b</i>][1,3]benzoxazin-13-one
• Authors of publication: Kapor, A.; Stájer, G.; Frimpong-Manso, S.; Bernáth, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 1
• Pages of publication: 131 - 134
• a: 9.15 ± 0.004 Å
• b: 17.465 ± 0.006 Å
• c: 12.098 ± 0.005 Å
• α: 89.99 ± 0.02°
• β: 106.89 ± 0.02°
• γ: 89.99 ± 0.02°
• Cell volume: 1849.9 ± 1.3 ų
• Cell temperature: 293 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 significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.058
• Goodness-of-fit parameter for significantly intense reflections: 0.87
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No