Information card for entry 7229016

Structure parameters

• Common name: compound_L_anti
• Formula: C53 H72 N2 O3
• Calculated formula: C53 H72 N2 O3
• SMILES: O1c2c(/N=C/c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)cc(cc2C(c2c1c(/N=C/c1cc(C(C)(C)C)cc(c1O)C(C)(C)C)cc(c2)C(C)(C)C)(C)C)C(C)(C)C
• Title of publication: Zinc bimetallics supported by a xanthene-bridged dinucleating ligand: synthesis, characterization, and lactide polymerization studies
• Authors of publication: Hollingsworth, Thilini S.; Hollingsworth, Ryan L.; Rosen, Tomer; Groysman, Stanislav
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 66
• Pages of publication: 41819
• a: 16.5356 ± 0.0007 Å
• b: 14.763 ± 0.0006 Å
• c: 19.9092 ± 0.0008 Å
• α: 90°
• β: 103.18 ± 0.002°
• γ: 90°
• Cell volume: 4732.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0806
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1853
• Weighted residual factors for all reflections included in the refinement: 0.1974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No