Information card for entry 7059931

Structure parameters

• Formula: C21 H16 N4 O2
• Calculated formula: C21 H16 N4 O2
• SMILES: N(=C\c1ncccc1)/N1C(=O)NC(C1=O)(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: 16.3125 ± 0.0006 Å
• b: 8.4276 ± 0.0003 Å
• c: 27.2914 ± 0.001 Å
• α: 90°
• β: 105.355 ± 0.004°
• γ: 90°
• Cell volume: 3618 ± 0.2 ų
• Cell temperature: 290 K
• Ambient diffraction temperature: 290 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No