Information card for entry 7130417

Structure parameters

• Formula: C21 H23 N O2
• Calculated formula: C21 H23 N O2
• SMILES: O=C(N[C@H]1[C@@H](CC(=O)c2ccc(cc2)C)CCc2c1cccc2)C.O=C(N[C@@H]1[C@H](CC(=O)c2ccc(cc2)C)CCc2c1cccc2)C
• Title of publication: Zinc acetate-promoted blocking of the ATRA process with alkyl halides enabling photochemical alkylamination of olefins.
• Authors of publication: Samanta, Apurba; Pramanik, Shyamal; Mondal, Subhashis; Maity, Soumitra
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 60
• Pages of publication: 8400 - 8403
• a: 9.537 ± 0.003 Å
• b: 19.937 ± 0.003 Å
• c: 9.6171 ± 0.0019 Å
• α: 90°
• β: 95.72 ± 0.03°
• γ: 90°
• Cell volume: 1819.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0967
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No