Information card for entry 7151098

Structure parameters

• Formula: C18 H19 N O3 Se
• Calculated formula: C18 H19 N O3 Se
• Title of publication: On the stability of 2-aminoselenophene-3-carboxylates: potential dual-acting selenium-containing allosteric enhancers of A1 adenosine receptor binding.
• Authors of publication: Aumann, Kylee M.; Scammells, Peter J.; White, Jonathan M.; Schiesser, Carl H.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 8
• Pages of publication: 1276 - 1281
• a: 8.0161 ± 0.0009 Å
• b: 10.6336 ± 0.0013 Å
• c: 18.746 ± 0.002 Å
• α: 90°
• β: 93.498 ± 0.002°
• γ: 90°
• Cell volume: 1594.9 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• 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: 0.0357
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No