Information card for entry 4029429

Structure parameters

• Formula: C27 H20 N2 Se
• Calculated formula: C27 H20 N2 Se
• SMILES: [se]1c(nc(c1N(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Reaction of selenoamide dianions with thio- and selenoformamides leading to the formation of 5-aminoselenazoles: photophysical and electrochemical properties.
• Authors of publication: Murai, Toshiaki; Yamaguchi, Kirara; Hori, Fumihiko; Maruyama, Toshifumi
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 11
• Pages of publication: 4930 - 4939
• a: 13.77 ± 0.003 Å
• b: 9.3234 ± 0.0015 Å
• c: 17.015 ± 0.003 Å
• α: 90°
• β: 101.934 ± 0.002°
• γ: 90°
• Cell volume: 2137.2 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No