Information card for entry 7126381

Structure parameters

• Formula: C19 H13 F2 N O3
• Calculated formula: C19 H13 F2 N O3
• Title of publication: Unprecedented morphology control of gas phase cocrystal growth using multi zone heating and tailor made additives.
• Authors of publication: O'Malley, Ciarán; Erxleben, Andrea; Kellehan, Seamus; McArdle, Patrick
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 42
• Pages of publication: 5657 - 5660
• a: 3.8999 ± 0.0002 Å
• b: 34.7661 ± 0.0018 Å
• c: 11.4896 ± 0.0007 Å
• α: 90°
• β: 94.404 ± 0.005°
• γ: 90°
• Cell volume: 1553.21 ± 0.15 ų
• Cell temperature: 299 ± 0.1 K
• Ambient diffraction temperature: 299 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No