Information card for entry 7031197

Structure parameters

• Formula: C38 H44 N2 Se
• Calculated formula: C38 H44 N2 Se
• SMILES: [Se](c1ccccc1/C=N/c1c(cccc1C(C)C)C(C)C)c1ccccc1/C=N/c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis, structure and reactivity of [o-(2,6-diisopropylphenyliminomethinyl)phenyl]selenenyl selenocyanate (RSeSeCN) and related derivatives.
• Authors of publication: Rakesh, Prakul; Singh, Harkesh B.; Jasinski, Jerry P.; Golen, James A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 25
• Pages of publication: 9431 - 9437
• a: 9.6138 ± 0.0003 Å
• b: 11.1782 ± 0.0005 Å
• c: 17.083 ± 0.0007 Å
• α: 89.666 ± 0.003°
• β: 75.815 ± 0.003°
• γ: 65.343 ± 0.003°
• Cell volume: 1607.85 ± 0.12 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No