Information card for entry 2227208

Structure parameters

• Chemical name: 10-(2-Ethoxy-1,3-thiazol-5-yl)-10-hydroxyphenanthren-9(10<i>H</i>)-one
• Formula: C19 H15 N O3 S
• Calculated formula: C19 H15 N O3 S
• SMILES: s1c(C2(O)C(=O)c3ccccc3c3ccccc23)cnc1OCC
• Title of publication: 10-(2-Ethoxy-1,3-thiazol-5-yl)-10-hydroxyphenanthren-9(10<i>H</i>)-one
• Authors of publication: Fun, Hoong-Kun; Goh, Jia Hao; Liu, Yang; Zhang, Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2234 - o2235
• a: 7.1386 ± 0.0004 Å
• b: 9.6206 ± 0.0006 Å
• c: 12.7743 ± 0.0008 Å
• α: 106.863 ± 0.002°
• β: 97.746 ± 0.002°
• γ: 104.667 ± 0.002°
• Cell volume: 791.42 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0468
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes