Information card for entry 1504790

Structure parameters

• Formula: C49 H52 N3 O2 Zn
• Calculated formula: C49 H52 N3 O2 Zn
• Title of publication: Colorimetric discrimination between important alkaloid nuclei mediated by a bis-salphen chromophore.
• Authors of publication: Wezenberg, Sander J.; Escudero-Adán, Eduardo C; Benet-Buchholz, Jordi; Kleij, Arjan W.
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 15
• Pages of publication: 3311 - 3314
• a: 23.0378 ± 0.0011 Å
• b: 10.0623 ± 0.0006 Å
• c: 19.4193 ± 0.001 Å
• α: 90°
• β: 110.731 ± 0.003°
• γ: 90°
• Cell volume: 4210.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0983
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1733
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No