Information card for entry 7228130

Structure parameters

• Formula: C24 H24 Cl2 N4 O4
• Calculated formula: C24 H24 Cl2 N4 O4
• SMILES: Clc1c(Cn2nc(C(=O)[O-])c3ccccc23)ccc(Cl)c1.Nc1[nH+]cccc1.O=C(OCC)C
• 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: 10.9724 ± 0.0003 Å
• b: 13.1874 ± 0.0003 Å
• c: 8.8415 ± 0.0003 Å
• α: 90°
• β: 109.768 ± 0.003°
• γ: 90°
• Cell volume: 1203.95 ± 0.06 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No