Crystallography Open Database

Information card for entry 4034469

Preview

Coordinates	4034469.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H35 N3 O5
Calculated formula	C36 H35 N3 O5
SMILES	O=C1N(c2ccccc2[C@]1(NC(=O)OC(C)(C)C)[C@@H](/N=C(c1ccccc1)\c1ccccc1)C(=O)OC)Cc1ccccc1
Title of publication	Cu(I)-Catalyzed Asymmetric Mannich Reaction of Glycine Schiff Bases to Ketimines.
Authors of publication	Fan, Ying; Lu, Jian; Sha, Feng; Li, Qiong; Wu, Xin-Yan
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	18
Pages of publication	11639 - 11648
a	10.0534 ± 0.0002 Å
b	16.7674 ± 0.0003 Å
c	18.6721 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3147.54 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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 all reflections	0.0378
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0958
Weighted residual factors for all reflections included in the refinement	0.0986
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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