Information card for entry 2011218

Structure parameters

• Common name: YC-1
• Chemical name: 1-Benzyl-3-(5'-hydroxymethyl-2-furyl)indazole
• Formula: C19 H16 N2 O2
• Calculated formula: C19 H16 N2 O2
• SMILES: OCc1ccc(o1)c1nn(c2ccccc12)Cc1ccccc1
• Title of publication: YC-1, an activation inductor of soluble guanylyl cyclase
• Authors of publication: Sopková-de Oliveira Santos, Jana; Collot, Valérie; Bureau, Isabelle; Rault, Sylvain
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 1035 - 1036
• a: 14.345 ± 0.001 Å
• b: 5.6905 ± 0.0007 Å
• c: 18.714 ± 0.001 Å
• α: 90°
• β: 96.064 ± 0.009°
• γ: 90°
• Cell volume: 1519.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes