Information card for entry 4519137

Structure parameters

• Formula: C20 H18.12 N2 O6.06
• Calculated formula: C20 H18.119 N2 O6.0595
• Title of publication: Drastic Modulation of Molecular Packing and Intrinsic Dissolution Rates by Meniscus-Guided Coating of Extremely Confined Pharmaceutical Thin Films.
• Authors of publication: Kafle, Prapti; Sanghavi, Rishabh; Khasbaatar, Azzaya; Punjani, Samdisha; Davies, Daniel W.; Diao, Ying
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 47
• Pages of publication: 56519 - 56529
• a: 6.8606 ± 0.0002 Å
• b: 10.2852 ± 0.0003 Å
• c: 12.7298 ± 0.0004 Å
• α: 85.7031 ± 0.0008°
• β: 87.599 ± 0.0008°
• γ: 71.4424 ± 0.0008°
• Cell volume: 848.99 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No