Information card for entry 2223447

Structure parameters

• Chemical name: 4-(9-Anthryl)-1-(3-bromophenyl)spiro[azetidine-3,9'-xanthen]-2-one
• Formula: C35 H22 Br N O2
• Calculated formula: C35 H22 Br N O2
• SMILES: Brc1cc(N2C(c3c4ccccc4cc4ccccc34)C3(c4ccccc4Oc4ccccc34)C2=O)ccc1
• Title of publication: 4-(9-Anthryl)-1-(3-bromophenyl)spiro[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: 10
• Pages of publication: o2522 - o2523
• a: 11.1143 ± 0.0004 Å
• b: 19.9412 ± 0.0005 Å
• c: 14.0317 ± 0.0005 Å
• α: 90°
• β: 122.106 ± 0.002°
• γ: 90°
• Cell volume: 2634.27 ± 0.16 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.0703
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes