Information card for entry 7242581

Structure parameters

• Common name: remdesivir
• Formula: C27 H35 N6 O8 P
• Calculated formula: C27 H35 N6 O8 P
• Title of publication: Two polymorphs of remdesivir: crystal structure, solubility, and pharmacokinetic study
• Authors of publication: Yu, Kaxi; Chen, Shuai; Amgoth, Chander; Tang, Guping; Bai, Hongzhen; Hu, Xiurong
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 16
• Pages of publication: 2923 - 2927
• a: 8.5565 ± 0.0011 Å
• b: 10.5456 ± 0.0016 Å
• c: 17.147 ± 0.002 Å
• α: 96.105 ± 0.004°
• β: 99.219 ± 0.004°
• γ: 94.937 ± 0.004°
• Cell volume: 1510.2 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170.02 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.2598
• Residual factor for significantly intense reflections: 0.1215
• Weighted residual factors for significantly intense reflections: 0.2953
• Weighted residual factors for all reflections included in the refinement: 0.3938
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No