Information card for entry 7228122

Structure parameters

• Formula: C34 H30 Cl4 N6 O4
• Calculated formula: C34 H30 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: 11.6186 ± 0.0005 Å
• b: 12.339 ± 0.0008 Å
• c: 12.5559 ± 0.0007 Å
• α: 68.926 ± 0.006°
• β: 85.447 ± 0.004°
• γ: 88.975 ± 0.004°
• Cell volume: 1674.24 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No