Information card for entry 2219207

Structure parameters

• Chemical name: 3',6'-Bis(ethylamino)-2-[(2-hydroxyethyl)amino]-2',7'- dimethylspiro[isoindoline-1,9'-xanthen]-3-one
• Formula: C28 H32 N4 O3
• Calculated formula: C28 H32 N4 O3
• SMILES: O1c2c(cc(c(c2)NCC)C)C2(c3c1cc(NCC)c(c3)C)N(NCCO)C(=O)c1c2cccc1
• Title of publication: 3',6'-Bis(ethylamino)-2-[(2-hydroxyethyl)amino]-2',7'-dimethylspiro[isoindoline-1,9'-xanthen]-3-one
• Authors of publication: Tian, Mao-Zhong; Peng, Xiao-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1645
• a: 9.3195 ± 0.0018 Å
• b: 9.477 ± 0.0016 Å
• c: 15.384 ± 0.003 Å
• α: 94.722 ± 0.018°
• β: 107.592 ± 0.013°
• γ: 98.924 ± 0.013°
• Cell volume: 1267.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections: 1.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes