Information card for entry 4028048

Structure parameters

• Formula: C34 H42 N4 O6 S2
• Calculated formula: C34 H42 N4 O6 S2
• Title of publication: Coplanar Bithiazole-Centered Heterocyclic Aromatic Fluorescent Compounds Having Different Donor/Acceptor Terminal Groups
• Authors of publication: Tao Tao; Yu-Xin Peng; Wei Huang; Xiao-Zeng You
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 2472 - 2481
• a: 5.4606 ± 0.0019 Å
• b: 12.111 ± 0.004 Å
• c: 14.081 ± 0.005 Å
• α: 100.073 ± 0.005°
• β: 96.591 ± 0.007°
• γ: 101.281 ± 0.006°
• Cell volume: 888.4 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.1748
• Residual factor for significantly intense reflections: 0.0908
• Weighted residual factors for significantly intense reflections: 0.2409
• Weighted residual factors for all reflections included in the refinement: 0.2773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No