Information card for entry 2226083

Structure parameters

• Chemical name: 2-[(5-Chloro-2-hydroxybenzylidene)amino]-3',6'- bis(diethylamino)spiro[isoindoline-1,9'-xanthen]-3-one
• Formula: C35 H35 Cl N4 O3
• Calculated formula: C35 H35 Cl N4 O3
• SMILES: c12ccc(cc1Oc1cc(ccc1C12c2ccccc2C(=O)N1/N=C/c1cc(ccc1O)Cl)N(CC)CC)N(CC)CC
• Title of publication: 2-[(5-Chloro-2-hydroxybenzylidene)amino]-3',6'-bis(diethylamino)spiro[isoindoline-1,9'-xanthen]-3-one
• Authors of publication: Xu, Zhi-hong; Guo, Wei-yun; Su, Bo-wei; Shen, Xu-Ke; Yang, Feng-ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1500
• a: 21.609 ± 0.009 Å
• b: 11.892 ± 0.005 Å
• c: 12.355 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3175 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1209
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes