Information card for entry 2012916

Structure parameters

• Chemical name: 11-Methyl-12a-phenyl-9a,12a-dihydrophenanthro[9',10:5,6][1,4]dioxino [2,3-d]thiazole
• Formula: C24 H17 N O2 S
• Calculated formula: C24 H17 N O2 S
• SMILES: S1[C@H]2Oc3c(O[C@]2(N=C1C)c1ccccc1)c1ccccc1c1ccccc31.S1[C@@H]2Oc3c(O[C@@]2(N=C1C)c1ccccc1)c1ccccc1c1ccccc31
• Title of publication: 11-Methyl-12a-phenyl-9a,12a-dihydrophenanthro[9',10:5,6][1,4]dioxino[2,3-<i>d</i>]thiazole
• Authors of publication: Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Yan Zhang; Jian-Hua Xu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 9
• Pages of publication: o543 - o544
• a: 10.7999 ± 0.0001 Å
• b: 9.2851 ± 0.0001 Å
• c: 18.7949 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1884.72 ± 0.04 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes