Information card for entry 7059930

Structure parameters

• Formula: C22 H16 N4 O4
• Calculated formula: C22 H16 N4 O4
• SMILES: O=C1N(/N=C/c2ccc(N(=O)=O)cc2)C(=O)NC1(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: 9.517 ± 0.0005 Å
• b: 10.8616 ± 0.0007 Å
• c: 18.5972 ± 0.001 Å
• α: 90°
• β: 100.902 ± 0.005°
• γ: 90°
• Cell volume: 1887.69 ± 0.19 ų
• Cell temperature: 290 K
• Ambient diffraction temperature: 290 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: 0.0713
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No