Crystallography Open Database

Information card for entry 7152774

Preview

Coordinates	7152774.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	gamma Phe
Chemical name	gamma_Phe
Formula	C11 H15 N O2
Calculated formula	C11 H15 N O2
SMILES	[C@H](Cc1ccccc1)(CCC(=O)[O-])[NH3+]
Title of publication	Protein secondary structure mimetics: crystal conformations of α/γ4-hybrid peptide12-helices with proteinogenic side chains and their analogy with α- and β-peptide helices.
Authors of publication	Jadhav, Sandip V.; Bandyopadhyay, Anupam; Gopi, Hosahudya N.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2013
Journal volume	11
Journal issue	3
Pages of publication	509 - 514
a	7.757 ± 0.005 Å
b	6.483 ± 0.004 Å
c	9.907 ± 0.007 Å
α	90°
β	92.808 ± 0.012°
γ	90°
Cell volume	497.6 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Ambient diffracton pressure	101.325 kPa
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	0.1153
Residual factor for significantly intense reflections	0.0704
Weighted residual factors for significantly intense reflections	0.1626
Weighted residual factors for all reflections included in the refinement	0.189
Goodness-of-fit parameter for all reflections included in the refinement	0.947
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7152774.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7152774.cif
73765	2013-02-21	cif/ Adding structures of 7152774, 7152775, 7152776, 7152777 via cif-deposit CGI script.	7152774.cif