Information card for entry 2203865

Structure parameters

• Chemical name: N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-6-allyl ergoline-8β-carboxamide
• Formula: C26 H37 N5 O2
• Calculated formula: C26 H37 N5 O2
• Title of publication: Cabergoline, form VII
• Authors of publication: Bednář, Roman; Cvak, Ladislav; Čejka, Jan; Kratochvíl, Bohumil; Císařová, Ivana; Jegorov, Alexandr
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: o1167 - o1169
• a: 10.9448 ± 0.0002 Å
• b: 15.1406 ± 0.0002 Å
• c: 15.6896 ± 0.0003 Å
• α: 90°
• β: 99.1231 ± 0.0009°
• γ: 90°
• Cell volume: 2567.05 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for all reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1277
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No