Information card for entry 7250443

Structure parameters

• Formula: C5 H13 N2 O5 P
• Calculated formula: C5 H13 N2 O5 P
• Title of publication: Assessment of the structure-activity relationship of analogs of the Naegleria fowleri enolase inhibitor HEX
• Authors of publication: Kwain, Samuel; Morris, James W. D.; McKeon, Jillian Elisa Milanes; Roster, Colm P.; Noori, Monireh; Gibbs, Aysiah R.; Stevenson III, Robert L; McMillen, Colin; Dominy, Brian N.; Morris, James C.; Whitehead, Daniel Charles
• Journal of publication: RSC Medicinal Chemistry
• Year of publication: 2025
• a: 6.1084 ± 0.0003 Å
• b: 8.9906 ± 0.0005 Å
• c: 15.92 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 874.3 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0331
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No