Information card for entry 7155508

Structure parameters

• Formula: C21 H8 F12 N2 O3
• Calculated formula: C21 H8 F12 N2 O3
• Title of publication: Croconamides: a new dual hydrogen bond donating motif for anion recognition and organocatalysis.
• Authors of publication: Jeppesen, Anne; Nielsen, Bjarne E.; Larsen, Dennis; Akselsen, Olivia M.; Sølling, Theis I; Brock-Nannestad, Theis; Pittelkow, Michael
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 13
• Pages of publication: 2784 - 2790
• a: 20.0339 ± 0.0013 Å
• b: 8.9046 ± 0.0007 Å
• c: 13.8902 ± 0.001 Å
• α: 90°
• β: 122.816 ± 0.002°
• γ: 90°
• Cell volume: 2082.5 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No