Information card for entry 2221118

Structure parameters

• Chemical name: 4-(9-Anthryl)-1-phenylspiro[azetidine-3,9'-xanthen]-2-one
• Formula: C35 H23 N O2
• Calculated formula: C35 H23 N O2
• SMILES: O1c2c(C3(C(N(C3=O)c3ccccc3)c3c4ccccc4cc4ccccc34)c3c1cccc3)cccc2
• Title of publication: 4-(9-Anthryl)-1-phenylspiro[azetidine-3,9'-xanthen]-2-one
• Authors of publication: Çelik, Ísmail; Akkurt, Mehmet; Jarrahpour, Aliasghar; Ebrahimi, Edris; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o501 - o502
• a: 13.6906 ± 0.0008 Å
• b: 13.3085 ± 0.0007 Å
• c: 17.3527 ± 0.001 Å
• α: 90°
• β: 127.548 ± 0.004°
• γ: 90°
• Cell volume: 2506.7 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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 all reflections: 0.133
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes