Information card for entry 4029504

Structure parameters

• Formula: C24 H16 Cl4 N4
• Calculated formula: C24 H16 Cl4 N4
• Title of publication: π-π Interaction Energies as Determinants of the Photodimerization of Mono-, Di-, and Triazastilbenes.
• Authors of publication: Parent, Alexander A.; Ess, Daniel H.; Katzenellenbogen, John A.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 12
• Pages of publication: 5448 - 5462
• a: 17.0237 ± 0.0006 Å
• b: 9.7682 ± 0.0003 Å
• c: 14.0662 ± 0.0004 Å
• α: 90°
• β: 93.164 ± 0.002°
• γ: 90°
• Cell volume: 2335.52 ± 0.13 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• 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: 0.0706
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No