Information card for entry 7230114

Structure parameters

• Formula: C30 H40 N8 O5
• Calculated formula: C30 H40 N8 O5
• Title of publication: Tailored supramolecular gel and microemulsion crystallization strategies ‒ is isoniazid really monomorphic?
• Authors of publication: Kennedy, Stuart R.; Jones, Christopher D.; Yufit, Dmitry S.; Nicholson, Catherine E.; Cooper, Sharon J.; Steed, Jonathan W.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 10
• Pages of publication: 1390
• a: 16.066 ± 0.005 Å
• b: 16.264 ± 0.005 Å
• c: 25.721 ± 0.008 Å
• α: 95.908 ± 0.004°
• β: 98.689 ± 0.003°
• γ: 94.564 ± 0.004°
• Cell volume: 6577 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1927
• Residual factor for significantly intense reflections: 0.0879
• Weighted residual factors for significantly intense reflections: 0.1974
• Weighted residual factors for all reflections included in the refinement: 0.2278
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No