Information card for entry 2237956

Structure parameters

• Chemical name: 8-{(<i>E</i>)-[(4-Chlorophenyl)imino]methyl}-1,1,7,7-tetramethyl-1,2,3,5,6,7-hexahydropyrido[3,2,1-<i>ij</i>]quinolin-9-ol
• Formula: C23 H27 Cl N2 O
• Calculated formula: C23 H27 Cl N2 O
• SMILES: Clc1ccc(cc1)/N=C/c1cc2c3c(c1O)C(C)(C)CCN3CCC2(C)C
• Title of publication: 8-{(<i>E</i>)-[(4-Chlorophenyl)imino]methyl}-1,1,7,7-tetramethyl-1,2,3,5,6,7-hexahydropyrido[3,2,1-<i>ij</i>]quinolin-9-ol
• Authors of publication: Kantar, Esen Nur; Köysal, Yavuz; Akdemir, Nesuhi; Ağar, Ayşen Alaman; Soylu, Mustafa Serkan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: o883
• a: 6.4716 ± 0.0003 Å
• b: 9.8468 ± 0.0006 Å
• c: 16.9206 ± 0.0007 Å
• α: 75.438 ± 0.004°
• β: 80.307 ± 0.004°
• γ: 75.863 ± 0.004°
• Cell volume: 1005.42 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes