Information card for entry 2239986

Structure parameters

• Chemical name: (<i>E</i>)-(3-Isopropyl-1-methyl-2,6-diphenylpiperidin-4-ylidene)amino phenyl carbonate
• Formula: C28 H30 N2 O3
• Calculated formula: C28 H30 N2 O3
• SMILES: [C@H]1(CC([C@H]([C@H](c2ccccc2)N1C)C(C)C)=NOC(=O)Oc1ccccc1)c1ccccc1.[C@@H]1(CC([C@@H]([C@@H](c2ccccc2)N1C)C(C)C)=NOC(=O)Oc1ccccc1)c1ccccc1
• Title of publication: Crystal structures of (<i>E</i>)-(3-ethyl-1-methyl-2,6-diphenylpiperidin-4-ylidene)amino phenyl carbonate and (<i>E</i>)-(3-isopropyl-1-methyl-2,6-diphenylpiperidin-4-ylidene)amino phenyl carbonate
• Authors of publication: Raghuvarman, B.; Sivakumar, R.; Thanikachalam, V.; Aravindhan, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 10
• Pages of publication: 199 - 202
• a: 10.3511 ± 0.0005 Å
• b: 23.9398 ± 0.001 Å
• c: 10.0587 ± 0.0004 Å
• α: 90°
• β: 94.997 ± 0.002°
• γ: 90°
• Cell volume: 2483.11 ± 0.19 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: 0.0777
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes