Crystallography Open Database

Information card for entry 7052834

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Structure parameters

Formula	C21 H26 N2 O4
Calculated formula	C21 H26 N2 O4
SMILES	O=C1N(c2ccccc2)C(=O)[C@H](C1)[C@]1(OC(=O)C(=N1)[C@H](C)CC)C(C)(C)C
Title of publication	Enantioselective addition of oxazolones to maleimides. An easy entry to quaternary aminoacids
Authors of publication	Alba, Andrea-Nekane R.; Valero, Guillem; Calbet, Teresa; Font-Bardía, Mercé; Moyano, Albert; Rios, Ramon
Journal of publication	New Journal of Chemistry
Year of publication	2012
Journal volume	36
Journal issue	3
Pages of publication	613
a	10.674 ± 0.006 Å
b	8.769 ± 0.004 Å
c	11.811 ± 0.004 Å
α	90°
β	116.21 ± 0.02°
γ	90°
Cell volume	991.8 ± 0.8 Å³
Cell temperature	105 ± 2 K
Ambient diffraction temperature	105 ± 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	0.0364
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0968
Weighted residual factors for all reflections included in the refinement	0.0969
Goodness-of-fit parameter for all reflections included in the refinement	1.27
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
301851 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure.	7052834.cif
180082	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/28.	7052834.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052834.cif
37624	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 7052834 via cif-deposit CGI script.	7052834.cif