Information card for entry 3000637

Structure parameters

• Formula: C16 H10 Br N O
• Authors of publication: Kalita, Nabadeep; Kalita, Kalyan Jyoti; Nakane, Takanori; Kawamoto, Akihiro; Ichiyanagi,Kouhei; Sasaki, Toshiyuki; Kurisu, Genji; Thakuria, Ranjit
• Journal of publication: To be published
• a: 3.6639 ± 0.0007 Å
• b: 23.422 ± 0.004 Å
• c: 26.628 ± 0.011 Å
• α: 90°
• β: 90.78 ± 0.02°
• γ: 90°
• Cell volume: 2284.9 ± 1.1 ų
• Cell temperature: 79 K
• Ambient diffraction temperature: 79 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2757
• Weighted residual factors for significantly intense reflections: 0.5343
• Goodness-of-fit parameter for all reflections included in the refinement: 2.071
• Diffraction radiation probe: electron
• Diffraction radiation wavelength: 0.02508 Å
• Diffraction radiation type: electron
• Has coordinates: No
• Has disorder: No
• Has Fobs: No