Information card for entry 1503511

Structure parameters

• Formula: C64 H80 Cl2 Cu2 N4 O3 P2
• Calculated formula: C63.3568 H80 Cl2 Cu2 N4 O2.788 P2
• SMILES: [Cu]1([Cl][Cu]([Cl]1)[P](c1c([C@H]2N(c3ccccc3)C(=O)[C@H]3N2c2c(C3)cccc2)cccc1)(C(C)(C)C)C(C)(C)C)[P](c1c([C@H]2N(c3ccccc3)C(=O)[C@H]3N2c2c(C3)cccc2)cccc1)(C(C)(C)C)C(C)(C)C.O(CC)CC
• Title of publication: Enantioselective carbenoid insertion into phenolic O-H bonds with a chiral copper(I) imidazoindolephosphine complex.
• Authors of publication: Osako, Takao; Panichakul, Duanghathai; Uozumi, Yasuhiro
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 194 - 197
• a: 15.131 ± 0.008 Å
• b: 11.066 ± 0.005 Å
• c: 19.286 ± 0.009 Å
• α: 90°
• β: 101.158 ± 0.008°
• γ: 90°
• Cell volume: 3168 ± 3 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No