Information card for entry 2222478

Structure parameters

• Chemical name: 4-(9-Anthryl)-1-(2,4-dimethoxyphenyl)spiro[azetidine-3,9'-xanthen]-2-one
• Formula: C37 H27 N O4
• Calculated formula: C37 H27 N O4
• SMILES: O1c2c(C3(C(N(C3=O)c3c(OC)cc(OC)cc3)c3c4ccccc4cc4ccccc34)c3c1cccc3)cccc2
• Title of publication: 4-(9-Anthryl)-1-(2,4-dimethoxyphenyl)spiro[azetidine-3,9'-xanthen]-2-one
• Authors of publication: Baktır, Zeliha; Akkurt, Mehmet; Jarrahpour, Aliasghar; Ebrahimi, Edris; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1623 - o1624
• a: 12.3164 ± 0.0006 Å
• b: 13.1277 ± 0.0007 Å
• c: 18.4838 ± 0.0011 Å
• α: 92.434 ± 0.005°
• β: 109.236 ± 0.004°
• γ: 91.357 ± 0.004°
• Cell volume: 2816.9 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.117
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes