Information card for entry 4082066

Structure parameters

• Formula: C23 H22 Cl N O5 Se
• Calculated formula: C23 H22 Cl N O5 Se
• SMILES: [Se]1[N+]2=C(OCC2(C)C)c2c1cc1ccccc1c2c1cc(cc(c1)C)C.Cl(=O)(=O)(=O)[O-]
• Title of publication: Synthesis of Selenenium Ions: Isolation of Highly Conjugated, pH-Sensitive 4,4′-Bis(methylimino)-1,1′-binaphthylene-5-diselenenium(II) Triflate
• Authors of publication: Rakesh, Prakul; Singh, Harkesh B.; Butcher, Ray J.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 24
• Pages of publication: 7275
• a: 8.8006 ± 0.0005 Å
• b: 11.9636 ± 0.0006 Å
• c: 20.9629 ± 0.0011 Å
• α: 90°
• β: 98.752 ± 0.005°
• γ: 90°
• Cell volume: 2181.4 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.1131
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 0.746
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No