Information card for entry 4129283

Structure parameters

• Common name: KC-CN-anti-26
• Formula: C44 H54 N2 O10
• Calculated formula: C44 H54 N2 O10
• SMILES: C12=C(C(=O)CCCCCCCC[C@@]3(C=CC(=C(C(=O)CCCCCCCC[C@@](C=C1)(O2)OC)C(=O)OCc1cccnc1)O3)OC)C(=O)OCc1cnccc1
• Title of publication: Synthesis and biological evaluation of dimeric furanoid macroheterocycles: discovery of new anticancer agents.
• Authors of publication: Nicolaou, K. C.; Nilewski, Christian; Hale, Christopher R. H.; Ahles, Christopher F.; Chiu, Chiao An; Ebner, Christian; ElMarrouni, Abdelatif; Yang, Lifeng; Stiles, Katherine; Nagrath, Deepak
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 14
• Pages of publication: 4766 - 4770
• a: 23.1573 ± 0.0013 Å
• b: 8.7306 ± 0.0006 Å
• c: 10.1458 ± 0.0007 Å
• α: 90°
• β: 92.893 ± 0.004°
• γ: 90°
• Cell volume: 2048.6 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.0517
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No