Information card for entry 4132083

Structure parameters

• Common name: GEP2
• Formula: C24 H6 Cl2 F18 N2 O4
• Calculated formula: C24 H6 Cl2 F18 N2 O4
• SMILES: c12c3cc(c4C(=O)N(C(=O)c(c14)cc(c2C(=O)N(C3=O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Cl)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Cl
• Title of publication: Presence of Short Intermolecular Contacts Screens for Kinetic Stability in Packing Polymorphs.
• Authors of publication: Purdum, Geoffrey E.; Telesz, Nicholas G.; Jarolimek, Karol; Ryno, Sean M.; Gessner, Thomas; Davy, Nicholas C.; Petty, 2nd, Anthony J; Zhen, Yonggang; Shu, Ying; Facchetti, Antonio; Collis, Gavin E.; Hu, Wenping; Wu, Chao; Anthony, John E.; Weitz, R. Thomas; Risko, Chad; Loo, Yueh-Lin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 24
• Pages of publication: 7519 - 7525
• a: 5.2089 ± 0.0003 Å
• b: 6.3003 ± 0.0004 Å
• c: 20.6203 ± 0.0014 Å
• α: 83.772 ± 0.003°
• β: 86.99 ± 0.003°
• γ: 69.934 ± 0.003°
• Cell volume: 631.8 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No