Crystallography Open Database

Information card for entry 7226804

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Structure parameters

Formula	C30 H34 N2 O4
Calculated formula	C30 H34 N2 O4
SMILES	c1(ccccc1)CO[C@@H](C(=O)N1[C@@H](C(C)C)CN(C1=O)[C@H](C)c1ccccc1)[C@@H](c1ccccc1)O
Title of publication	Anti selective glycolate aldol reactions of (S)-4-isopropyl-1-[(R)-1-phenylethyl]imidazolidin-2-one: application towards the asymmetric synthesis of 8-4'-oxyneolignans
Authors of publication	Gangar, Mukesh; Ittuveetil, Avinash; Goyal, Sandeep; Pal, Anang; M., Harikrishnan; Nair, Vipin A.
Journal of publication	RSC Adv.
Year of publication	2016
a	10.4181 ± 0.0016 Å
b	13.682 ± 0.002 Å
c	18.006 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2566.6 ± 0.7 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.063
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.1391
Weighted residual factors for all reflections included in the refinement	0.1477
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7226804.cif
187358	2016-10-15	cif/ Adding structures of 7226804 via cif-deposit CGI script.	7226804.cif