Information card for entry 7155476

Structure parameters

• Formula: C15 H14 N2 O Se
• Calculated formula: C15 H14 N2 O Se
• SMILES: C1(N(C(N2C=CC=CC=12)=[Se])C)c1ccc(cc1)OC
• Title of publication: Imidazo[1,5-a]pyridin-3-ylidenes as π-accepting carbene ligands: substituent effects on properties of N-heterocyclic carbenes.
• Authors of publication: Koto, Yuma; Shibahara, Fumitoshi; Murai, Toshiaki
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 1810 - 1820
• a: 8.144 ± 0.002 Å
• b: 9.039 ± 0.003 Å
• c: 9.707 ± 0.003 Å
• α: 97.961 ± 0.002°
• β: 106.05 ± 0.004°
• γ: 95.085 ± 0.003°
• Cell volume: 674 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No