Information card for entry 7123236

Structure parameters

• Common name: 18071z
• Formula: C18 H21 Cl N4 O4
• Calculated formula: C18 H21 Cl N4 O4
• Title of publication: Supramolecular Synthon Approach to Design Amorphous Solid Dispersions with Exceptional Physical Stability
• Authors of publication: Suryanarayanan, Raj; Duggirala, Naga Kiran; Li, Jinghan; N S, Krishna Kumar; Gopinath, Tata
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 6.6312 ± 0.0004 Å
• b: 12.1271 ± 0.0007 Å
• c: 12.3925 ± 0.0007 Å
• α: 97.657 ± 0.002°
• β: 95.471 ± 0.002°
• γ: 102.874 ± 0.002°
• Cell volume: 954.76 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No