Information card for entry 7705232

Structure parameters

• Formula: C28 H27 N O3 S
• Calculated formula: C28 H27 N O3 S
• SMILES: S(=O)(=O)(N[C@H](C(O)(c1ccccc1)c1ccccc1)Cc1ccccc1)c1ccc(cc1)C
• Title of publication: Catalytic intramolecular hydroamination of aminoallenes using titanium and tantalum complexes of sterically encumbered chiral sulfonamides.
• Authors of publication: Sha, Fanrui; Shimizu, Emily A.; Slocumb, Hannah S.; Towell, Sydney E.; Zhen, Yi; Porter, Hanna Z.; Takase, Michael K.; Johnson, Adam R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 35
• Pages of publication: 12418 - 12431
• a: 9.1955 ± 0.0003 Å
• b: 15.873 ± 0.0005 Å
• c: 16.3458 ± 0.0005 Å
• α: 90°
• β: 92.775 ± 0.003°
• γ: 90°
• Cell volume: 2383.04 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0947
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No