Information card for entry 2237191

Structure parameters

• Chemical name: 9-(4-Hydroxy-3-methoxyphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10- decahydroacridine-1,8-dione
• Formula: C24 H29 N O4
• Calculated formula: C24 H29 N O4
• SMILES: Oc1ccc(C2C3=C(CC(CC3=O)(C)C)NC3=C2C(=O)CC(C3)(C)C)cc1OC
• Title of publication: 9-(4-Hydroxy-3-methoxyphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
• Authors of publication: Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Patil, D. R.; Patil, P. P.; Deshmukh, Madhukar B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o100
• a: 10.4828 ± 0.0003 Å
• b: 14.8973 ± 0.0004 Å
• c: 14.2059 ± 0.0003 Å
• α: 90°
• β: 101.609 ± 0.002°
• γ: 90°
• Cell volume: 2173.09 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0869
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes