Information card for entry 4518490

Structure parameters

• Formula: C22 H22 N4 O4
• Calculated formula: C22 H22 N4 O4
• Title of publication: Microcrystal Electron Diffraction Elucidates Water-Specific Polymorphism-Induced Emission Enhancement of Bis-arylacylhydrazone.
• Authors of publication: Cho, Hye Jin; Kim, Kyung-Su; Kim, Hyunwoo; Kim, Taewoo; Malyutin, Andrey G.; Rees, Douglas C.; Yoo, Byung-Kuk; Song, Changsik
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 7546 - 7555
• a: 12.51 ± 0.003 Å
• b: 4.64 ± 0.0009 Å
• c: 33.91 ± 0.007 Å
• α: 90°
• β: 96.5 ± 0.03°
• γ: 90°
• Cell volume: 1955.7 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.2178
• Residual factor for significantly intense reflections: 0.2128
• Weighted residual factors for significantly intense reflections: 0.5027
• Weighted residual factors for all reflections included in the refinement: 0.5051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.02508 Å
• Diffraction radiation type: 200keVelectrons
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No