Information card for entry 7121580

Structure parameters

• Formula: C22 H29 N O2
• Calculated formula: C22 H29 N O2
• Title of publication: Evaluation of A-ring fused pyridine d-modified androstane derivatives for antiproliferative and aldo-keto reductase 1C3 inhibitory activity.
• Authors of publication: Savić, Marina P; Ajduković, Jovana J; Plavša, Jovana J; Bekić, Sofija S; Ćelić, Andjelka S; Klisurić, Olivera R; Jakimov, Dimitar S.; Petri, Edward T.; Djurendić, Evgenija A
• Journal of publication: MedChemComm
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 969 - 981
• a: 6.8428 ± 0.0004 Å
• b: 12.319 ± 0.0008 Å
• c: 21.388 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1802.93 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No