Information card for entry 7059932

Structure parameters

• Formula: C22 H17 N3 O3
• Calculated formula: C22 H17 N3 O3
• SMILES: O=C1N(/N=C/c2c(O)cccc2)C(=O)C(N1)(c1ccccc1)c1ccccc1
• Title of publication: Experimental and theoretical study of bidirectional photoswitching behavior of 5,5′-diphenylhydantoin Schiff bases: synthesis, crystal structure and kinetic approaches
• Authors of publication: Todorov, Petar; Georgieva, Stela; Peneva, Petia; Rusew, Rusi; Shivachev, Boris; Georgiev, Anton
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 35
• Pages of publication: 15081 - 15099
• a: 8.5374 ± 0.0008 Å
• b: 10.4625 ± 0.0017 Å
• c: 11.6521 ± 0.0017 Å
• α: 107.718 ± 0.014°
• β: 96.228 ± 0.01°
• γ: 106.521 ± 0.011°
• Cell volume: 928.6 ± 0.3 ų
• Cell temperature: 290 K
• Ambient diffraction temperature: 290 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1352
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1746
• Weighted residual factors for all reflections included in the refinement: 0.1927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No