Information card for entry 7153898

Structure parameters

• Formula: C37 H34 Cl2 F12 N2 O3 Si
• Calculated formula: C37 H34 Cl2 F12 N2 O3 Si
• SMILES: Clc1cc(Cl)ccc1[C@H]1[C@H](N(=O)=O)[C@@H](N2[C@H](C(O[Si](C)(C)C)(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCC2)C=C(C1)C
• Title of publication: Modular synthesis of cyclic cis- and trans-1,2-diamine derivatives.
• Authors of publication: Weber, Anna K.; Schachtner, Josef; Fichtler, Robert; Leermann, Timo M.; Neudörfl, Jörg M; Jacobi von Wangelin, Axel
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 28
• Pages of publication: 5267 - 5277
• a: 10.8393 ± 0.0005 Å
• b: 16.7856 ± 0.0003 Å
• c: 42.689 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7767 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.1354
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1651
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No