Information card for entry 2225726

Structure parameters

• Chemical name: 10-(1,3-Benzothiazol-2-yl)-1,1,7,7-tetramethyl-2,3,6,7-tetrahydro- 1<i>H</i>,5<i>H</i>,11<i>H</i>-pyrano[3,2-<i>g</i>]pyrido[3,2,1- <i>hi</i>]quinoline
• Formula: C26 H26 N2 O2 S
• Calculated formula: C26 H26 N2 O2 S
• SMILES: s1c(nc2ccccc12)c1cc2c(oc1=O)c1c3N(CCC(c3c2)(C)C)CCC1(C)C
• Title of publication: 10-(1,3-Benzothiazol-2-yl)-1,1,7,7-tetramethyl-2,3,6,7-tetrahydro-1<i>H</i>,5<i>H</i>,11<i>H</i>-pyrano[3,2-<i>g</i>]pyrido[3,2,1-<i>hi</i>]quinoline
• Authors of publication: Park, Ki-Min; Kang, Youngjin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o963
• a: 9.218 ± 0.0004 Å
• b: 13.7079 ± 0.0006 Å
• c: 18.6885 ± 0.0006 Å
• α: 90°
• β: 115.89 ± 0.002°
• γ: 90°
• Cell volume: 2124.46 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0441
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes