Crystallography Open Database

Information card for entry 4034610

Preview

Coordinates	4034610.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H28 N2 O3
Calculated formula	C23 H28 N2 O3
SMILES	O(C(=O)N1[C@@H](C(=O)N([C@@H]1C(C)(C)C)C)Cc1ccccc1)Cc1ccccc1
Title of publication	Amino Acid-Derived trans- N-Chloroformylimidazolidinones: Scalable, Stereoselective Synthesis, Structure, and Utility.
Authors of publication	Amer, Mostafa Mahmoud; Abas, Hossay; Leonard, Daniel J.; Ward, John W.; Clayden, Jonathan
Journal of publication	The Journal of organic chemistry
Year of publication	2019
Journal volume	84
Journal issue	11
Pages of publication	7199 - 7206
a	12.1176 ± 0.0004 Å
b	7.5277 ± 0.0003 Å
c	12.3487 ± 0.0004 Å
α	90°
β	114.006 ± 0.002°
γ	90°
Cell volume	1028.99 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0475
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.0926
Weighted residual factors for all reflections included in the refinement	0.0962
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223089 (current)	2019-11-04	cif/ Adding structures of 4034603, 4034604, 4034605, 4034606, 4034607, 4034608, 4034609, 4034610 via cif-deposit CGI script.	4034610.cif