Information card for entry 2227099

Structure parameters

• Chemical name: 8-Bromo-1,3-diphenyl-2,3-dihydro-1<i>H</i>-naphtho[1,2-<i>e</i>][1,3]oxazine
• Formula: C24 H18 Br N O
• Calculated formula: C24 H18 Br N O
• SMILES: Brc1cc2c(c3[C@@H](N[C@H](Oc3cc2)c2ccccc2)c2ccccc2)cc1.Brc1cc2c(c3[C@H](N[C@@H](Oc3cc2)c2ccccc2)c2ccccc2)cc1
• Title of publication: 8-Bromo-1,3-diphenyl-2,3-dihydro-1<i>H</i>-naphtho[1,2-<i>e</i>][1,3]oxazine
• Authors of publication: Jasinski, Jerry P.; Pek, Albert E.; Mayekar, A. N.; Yathirajan, H. S.; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2053 - o2054
• a: 7.7617 ± 0.0011 Å
• b: 20.092 ± 0.003 Å
• c: 11.5094 ± 0.0016 Å
• α: 90°
• β: 91.893 ± 0.002°
• γ: 90°
• Cell volume: 1793.9 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0512
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes