Information card for entry 2217553

Structure parameters

• Chemical name: 1,4-Bis[2-(1,3-benzothiazol-2-yl)phenoxy]butane
• Formula: C30 H24 N2 O2 S2
• Calculated formula: C30 H24 N2 O2 S2
• SMILES: C(COc1ccccc1c1nc2c(s1)cccc2)CCOc1ccccc1c1nc2c(s1)cccc2
• Title of publication: 1,4-Bis[2-(1,3-benzothiazol-2-yl)phenoxy]butane
• Authors of publication: Büyükgüngör, Orhan; Özek, Arzu; Senem Karahan; Elif Subaşı
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o528 - o528
• a: 14.3251 ± 0.0013 Å
• b: 4.8992 ± 0.0003 Å
• c: 17.4954 ± 0.0017 Å
• α: 90°
• β: 102.522 ± 0.007°
• γ: 90°
• Cell volume: 1198.65 ± 0.18 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0677
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 0.844
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes