Information card for entry 7228128

Structure parameters

• Formula: C40 H28 Cl4 N6 O4
• Calculated formula: C40 H28 Cl4 N6 O4
• Title of publication: Novel solid forms of lonidamine: crystal structures and physicochemical properties
• Authors of publication: Mapp, Lucy K.; Coles, Simon; Aitipamula, Srinivasulu
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 32.6725 ± 0.0011 Å
• b: 26.2388 ± 0.0013 Å
• c: 8.6827 ± 0.0003 Å
• α: 90°
• β: 93.879 ± 0.003°
• γ: 90°
• Cell volume: 7426.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1561
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.174
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No