Information card for entry 2004598

Structure parameters

• Formula: C25 H24 N2 O3
• Calculated formula: C25 H24 N2 O3
• SMILES: O1c2c(C3(OC(=O)c4c3cccc4)c3c1ccc(NC)c3)ccc(N(CC)CC)c2
• Title of publication: 6'-Diethylamino-2'-methylaminospiro[isobenzofuran-1(3<i>H</i>),9'-[9<i>H</i>]xanthen]-3-one
• Authors of publication: Miao, F.-M.; Zhang, L.-J.; Wen, X.; Zhou, W.-H.; Niu, Z.-C.; Han, J.-G.; Liu, X.-L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 700 - 702
• a: 30.973 ± 0.008 Å
• b: 8.04 ± 0.005 Å
• c: 21.268 ± 0.006 Å
• α: 90°
• β: 127.04 ± 0.04°
• γ: 90°
• Cell volume: 4228 ± 4 ų
• Cell temperature: 295 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.06
• Goodness-of-fit parameter for significantly intense reflections: 1.45
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No