Information card for entry 7126380

Structure parameters

• Formula: C64 H44 F8 N4 O14
• Calculated formula: C64 H44 F8 N4 O14
• 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: 27.197 ± 0.005 Å
• b: 3.7093 ± 0.0004 Å
• c: 26.924 ± 0.004 Å
• α: 90°
• β: 94.626 ± 0.016°
• γ: 90°
• Cell volume: 2707.3 ± 0.7 ų
• Cell temperature: 149.9 ± 0.3 K
• Ambient diffraction temperature: 149.9 ± 0.3 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: 0.2978
• Residual factor for significantly intense reflections: 0.1678
• Weighted residual factors for significantly intense reflections: 0.3146
• Weighted residual factors for all reflections included in the refinement: 0.3715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No