Information card for entry 4132081

Structure parameters

• Common name: GEP1
• Formula: C24 H24 Cl2 N2 O4
• Calculated formula: C24 H24 Cl2 N2 O4
• SMILES: Clc1c2c3c4c(c(cc3C(=O)N(C2=O)CCCCC)Cl)C(=O)N(C(=O)c4c1)CCCCC
• 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: 4.641 ± 0.002 Å
• b: 8.2418 ± 0.0017 Å
• c: 14.425 ± 0.004 Å
• α: 79.39 ± 0.019°
• β: 83.33 ± 0.03°
• γ: 88.51 ± 0.02°
• Cell volume: 538.6 ± 0.3 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: 0.0354
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No