Information card for entry 3000474

Structure parameters

• Formula: C18 H16 N2 O4
• Calculated formula: C18 H16 N2 O4
• Title of publication: Analysis of Solid-State Emission of the p-Bis(2,2-dicyanovinyl)benzene Analogue through Combined X-ray, Synchrotron, and Microcrystal Electron Diffraction
• Authors of publication: Deka, Poonam; Jaiswal, Shilpi; Sarma, Parishmita; Bora, Debajit; Nakane, Takanori; Kawamoto, Akihiro; Kurisu, Genji; Mahanta, Sanjeev Pran; Patra, Abhijit; Ichiyanagi, Kouhei; Sasaki, Toshiyuki; Thakuria, Ranjit
• Journal of publication: Crystal Growth & Design
• Year of publication: 2024
• Journal volume: 24
• Pages of publication: 7222 - 7234
• a: 4.619 Å
• b: 9.567 Å
• c: 38.517 Å
• α: 90°
• β: 90.08°
• γ: 90°
• Cell volume: 1702.06 ų
• Cell temperature: 79 K
• Ambient diffraction temperature: 79 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2196
• Weighted residual factors for significantly intense reflections: 0.4732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.679
• Diffraction radiation wavelength: 0.02508 Å
• Diffraction radiation type: electrons
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No