Information card for entry 1516425

Structure parameters

• Formula: C23 H33 N S
• Calculated formula: C23 H33 N S
• SMILES: s1cccc1/C=N/c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Thiophene-Phenyl Azomethines with Varying Rotational Barriers - Model Compounds for Examining Imine Fluorescence Deactivation
• Authors of publication: Bourque, Alex N.; Dufresne, Stéphane; Skene, W. G.
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2009
• Journal volume: 113
• Journal issue: 45
• Pages of publication: 19677
• a: 38.898 ± 0.003 Å
• b: 6.1786 ± 0.0005 Å
• c: 19.3956 ± 0.0018 Å
• α: 90°
• β: 112.449 ± 0.004°
• γ: 90°
• Cell volume: 4308.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1471
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.1743
• Weighted residual factors for all reflections included in the refinement: 0.2173
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No