Information card for entry 2220206

Structure parameters

• Chemical name: 4-(9-Anthryl)-1-(1-naphthyl)spiro[azetidine-3,9'-xanthen]-2-one n-hexane hemisolvate
• Formula: C42 H32 N O2
• Calculated formula: C42 H32 N O2
• SMILES: O=C1N(C(C21c1ccccc1Oc1ccccc21)c1c2ccccc2cc2ccccc12)c1cccc2ccccc12.CCCCCC
• Title of publication: 4-(9-Anthryl)-1-(1-naphthyl)spiro[azetidine-3,9'-xanthen]-2-one <i>n</i>-hexane hemisolvate
• Authors of publication: Akkurt, Mehmet; Jarrahpour, Aliasghar; Ebrahimi, Edris; Gençaslan, Mustafa; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2466 - o2467
• a: 12.0788 ± 0.0005 Å
• b: 14.1379 ± 0.0005 Å
• c: 18.6133 ± 0.0008 Å
• α: 90°
• β: 107.216 ± 0.003°
• γ: 90°
• Cell volume: 3036.2 ± 0.2 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: 0.1158
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1591
• Weighted residual factors for all reflections included in the refinement: 0.1905
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes