Information card for entry 7110700

Structure parameters

• Formula: C28 H33 N3 O9
• Calculated formula: C28 H33 N3 O9
• SMILES: O(/N=C1/[C@@]2(O[C@@]3([C@H](C2)CCC3)CC1)C(=O)O[C@H]1[C@]2(CC[C@H](C2(C)C)C1)C)C(=O)c1cc(N(=O)=O)cc(c1)N(=O)=O
• Title of publication: Efficient RhII binaphthol phosphate catalysts for enantioselective intramolecular tandem carbonyl ylide formation–cycloaddition of α-diazo-β-keto esters
• Authors of publication: Hodgson, David M.; Stupple, Paul A.; Johnstone, Craig
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 21
• Pages of publication: 2185
• a: 6.415 ± 0.002 Å
• b: 19.871 ± 0.005 Å
• c: 21.298 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2714.9 ± 1.5 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections included in the refinement: 0.0398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0493
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No