Information card for entry 7217855

Structure parameters

• Formula: C14 H16.5 Cl N3.5 O5.5
• Calculated formula: C14 H16.47 Cl N3.47 O5.53
• 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: 7.0287 ± 0.0005 Å
• b: 15.0835 ± 0.0011 Å
• c: 14.7528 ± 0.0011 Å
• α: 90°
• β: 90.09 ± 0.006°
• γ: 90°
• Cell volume: 1564.1 ± 0.2 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: 0.082
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.1651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No