Information card for entry 3000476

Structure parameters

• Formula: C20 H10 N4 O2
• Calculated formula: C20 H10 N4 O2.005
• 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: 3.7388 ± 0.0002 Å
• b: 11.9046 ± 0.0005 Å
• c: 40.4205 ± 0.0019 Å
• α: 90°
• β: 92.318 ± 0.005°
• γ: 90°
• Cell volume: 1797.6 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2474
• Weighted residual factors for significantly intense reflections: 0.4468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.667
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.812 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No