Information card for entry 2235607

Structure parameters

• Chemical name: 8-[(2-Hydroxyphenyl)imino]-3,5a,9-trimethyl-3a,4,5,5a,8,9b- hexahydronaphtho[1,2-<i>b</i>]furan-2(3<i>H</i>)-one
• Formula: C21 H23 N O3
• Calculated formula: C21 H23 N O3
• SMILES: O1C(=O)[C@H]([C@@H]2CC[C@]3(C=CC(=Nc4ccccc4O)C(=C3[C@@H]12)C)C)C
• Title of publication: 8-[(2-Hydroxyphenyl)imino]-3,5a,9-trimethyl-3a,4,5,5a,8,9b-hexahydronaphtho[1,2-<i>b</i>]furan-2(3<i>H</i>)-one
• Authors of publication: Yousuf, Sammer; Younas, Syed M.; Ambreen, Nida; Khan, Khalid M.; Miana, Ghulam A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2158
• a: 8.6 ± 0.0009 Å
• b: 10.7458 ± 0.0011 Å
• c: 19.729 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1823.2 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes