Information card for entry 7217854

Structure parameters

• Formula: C14 H16.25 Cl N3.25 O5.75
• Calculated formula: C14 H16.63 Cl N3.63 O5.37
• Title of publication: Effect of inductive effect on the formation of cocrystals and eutectics
• Authors of publication: Prasad, Karothu Durga; Cherukuvada, Suryanarayan; Devaraj Stephen, L.; Guru Row, Tayur N.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 42
• Pages of publication: 9930
• a: 7.0625 ± 0.0009 Å
• b: 15.0679 ± 0.0019 Å
• c: 14.7835 ± 0.0014 Å
• α: 90°
• β: 90.563 ± 0.009°
• γ: 90°
• Cell volume: 1573.1 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No