Information card for entry 4518894

Structure parameters

• Formula: C45 H50 F3 N4 Na O14 S
• Calculated formula: C45 H50 F3 N4 Na O14 S
• Title of publication: Synthesis of Conformationally Liberated Yohimbine Analogues and Evaluation of Cytotoxic Activity
• Authors of publication: Yang, Han; Poznik, Michal; Tang, Shaojian; Xue, Peng; Du, Lidong; Liu, Chenlu; Chen, Xiaochuan; Chruma, Jason J.
• Journal of publication: ACS Omega
• Year of publication: 2021
• a: 11.1701 ± 0.0003 Å
• b: 21.3786 ± 0.0005 Å
• c: 18.8905 ± 0.0005 Å
• α: 90°
• β: 90.194 ± 0.002°
• γ: 90°
• Cell volume: 4511 ± 0.2 ų
• Cell temperature: 160 ± 15 K
• Ambient diffraction temperature: 160 ± 15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1681
• Weighted residual factors for all reflections included in the refinement: 0.1762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No