Information card for entry 2239785

Structure parameters

• Chemical name: 9-(3-Bromo-5-chloro-2-hydroxyphenyl)-10-(2-hydroxyethyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione
• Formula: C25 H29 Br Cl N O4
• Calculated formula: C25 H29 Br Cl N O4
• SMILES: C1(=O)CC(C)(C)CC2=C1C(C1=C(CC(C)(C)CC1=O)N2CCO)c1c(O)c(Br)cc(Cl)c1
• Title of publication: Crystal structure of 9-(3-bromo-5-chloro-2-hydroxyphenyl)-10-(2-hydroxyethyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione
• Authors of publication: Abdelhamid, Antar A.; Mohamed, Shaaban K.; Simpson, Jim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: 44 - 47
• a: 10.5373 ± 0.0003 Å
• b: 17.1597 ± 0.0003 Å
• c: 13.7278 ± 0.0004 Å
• α: 90°
• β: 107.908 ± 0.003°
• γ: 90°
• Cell volume: 2361.96 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No