Information card for entry 2218190

Structure parameters

• Chemical name: 4-(9-Anthryl)-1-(4-methoxyphenyl)spiro[azetidin-3,9'-xanthen]-2-one
• Formula: C36 H25 N O3
• Calculated formula: C36 H25 N O3
• SMILES: O=C1N(C(C21c1ccccc1Oc1ccccc21)c1c2ccccc2cc2ccccc12)c1ccc(OC)cc1
• Title of publication: 4-(9-Anthryl)-1-(4-methoxyphenyl)spiro[azetidin-3,9'-xanthen]-2-one
• Authors of publication: Akkurt, Mehmet; Karaca, Selvi; Jarrahpour, Aliasghar; Ebrahimi, Edris; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o902 - o903
• a: 13.7629 ± 0.0009 Å
• b: 10.5845 ± 0.0004 Å
• c: 20.5777 ± 0.0012 Å
• α: 90°
• β: 114.768 ± 0.005°
• γ: 90°
• Cell volume: 2721.9 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1148
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes