Crystallography Open Database

Information card for entry 7155995

Preview

Coordinates	7155995.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H19.5 N2.5 O3
Calculated formula	C19 H19.5 N2.5 O3
Title of publication	Design, synthesis, and conformational analysis of 3-cyclo-butylcarbamoyl hydantoins as novel hydrogen bond driven universal peptidomimetics.
Authors of publication	Bellucci, M. C.; Frigerio, M.; Castellano, C.; Meneghetti, F.; Sacchetti, A.; Volonterio, A.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	4
Pages of publication	521 - 525
a	9.7379 ± 0.0019 Å
b	13.134 ± 0.003 Å
c	14.204 ± 0.003 Å
α	74.4 ± 0.03°
β	79.76 ± 0.03°
γ	87.25 ± 0.03°
Cell volume	1721.9 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1371
Residual factor for significantly intense reflections	0.0837
Weighted residual factors for significantly intense reflections	0.2141
Weighted residual factors for all reflections included in the refinement	0.2487
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
230704 (current)	2019-11-17	cif/ Updating files of 7155995, 7155996 Original log message: Adding full bibliography for 7155995--7155996.cif.	7155995.cif
203676	2017-11-28	cif/ Adding structures of 7155995, 7155996 via cif-deposit CGI script.	7155995.cif