Information card for entry 7222131

Structure parameters

• Common name: benzophenoxazine
• Chemical name: L3B
• Formula: C16 H9 N O2
• Calculated formula: C16 H9 N O2
• SMILES: c1cccc2C(=O)C=C3C(c12)=Nc1c(O3)cccc1
• Title of publication: Targeting chemorefractory COLO205 (BRAF V600E) cell lines using substituted benzo[a]phenoxazines†
• Authors of publication: Pal, Sanjima; Konkimalla, V. Badireenath; Kathwate, Laxmi; Rao, Soniya S.; Gejji, Shridhar P.; Puranik, Vedavati; Weyhermueller, Thomas; Salunke-Gawali, Sunita
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 3.9191 ± 0.00009 Å
• b: 23.306 ± 0.0005 Å
• c: 12.358 ± 0.0003 Å
• α: 90°
• β: 94.315 ± 0.001°
• γ: 90°
• Cell volume: 1125.56 ± 0.04 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No