Information card for entry 2202481

Structure parameters

• Chemical name: N-(4a-Morpholino-2,3,4,4a,9,9a-hexahydro-1H-xanthen-9-yl)phenylamine
• Formula: C23 H28 N2 O2
• Calculated formula: C23 H28 N2 O2
• SMILES: O1[C@]2(CCCC[C@H]2[C@@H](c2ccccc12)Nc1ccccc1)N1CCOCC1.O1[C@@]2(CCCC[C@@H]2[C@H](c2ccccc12)Nc1ccccc1)N1CCOCC1
• Title of publication: <i>N</i>-(4a-Morpholino-2,3,4,4a,9,9a-hexahydro-1<i>H</i>-xanthen-9-yl)phenylamine
• Authors of publication: Sundari Bhaskaran; S. Selvanayagam; D. Velmurugan; K. Ravikumar; M. Anniyappan; D. Muralidharan; P. T. Perumal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: o1301 - o1303
• a: 9.6452 ± 0.0007 Å
• b: 10.1247 ± 0.0008 Å
• c: 11.1168 ± 0.0009 Å
• α: 81.359 ± 0.001°
• β: 80.165 ± 0.001°
• γ: 64.92 ± 0.001°
• Cell volume: 965.11 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0818
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1674
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes