Information card for entry 7235291

Structure parameters

• Formula: C29 H37 N O7
• Calculated formula: C29 H37 N O7
• Title of publication: Synthesis and discovery of andrographolide derivatives as non-steroidal farnesoid X receptor (FXR) antagonists
• Authors of publication: Liu, Zhuyun; Law, Wai-Kit; Wang, Decai; Nie, Xin; Sheng, Dekuan; Song, Genrui; Guo, Kai; Wei, Ping; Ouyang, Pingkai; Wong, Chi-Wai; Zhou, Guo-Chun
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 26
• Pages of publication: 13533
• a: 10.115 ± 0.002 Å
• b: 8.791 ± 0.0018 Å
• c: 15.671 ± 0.003 Å
• α: 90°
• β: 103.74 ± 0.03°
• γ: 90°
• Cell volume: 1353.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.133
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No