Crystallography Open Database

Information card for entry 7151826

Preview

Coordinates	7151826.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Boc-(Leu-Leu-Acp)3-OMe
Formula	C60.5 H109.5 N9 O13.75
Calculated formula	C60.5 H109.5 N9 O13.75
Title of publication	Conformational studies on peptides containing α,α-disubstituted α-amino acids: chiral cyclic α,α-disubstituted α-amino acid as an α-helical inducer.
Authors of publication	Demizu, Yosuke; Doi, Mitsunobu; Kurihara, Masaaki; Okuda, Haruhiro; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu
Journal of publication	Organic & biomolecular chemistry
Year of publication	2011
Journal volume	9
Journal issue	9
Pages of publication	3303 - 3312
a	15.4487 ± 0.0014 Å
b	44.175 ± 0.004 Å
c	21.6774 ± 0.0019 Å
α	90°
β	96.234 ± 0.002°
γ	90°
Cell volume	14706 ± 2 Å³
Cell temperature	240 ± 2 K
Ambient diffraction temperature	240 ± 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	0.1191
Residual factor for significantly intense reflections	0.0962
Weighted residual factors for significantly intense reflections	0.2635
Weighted residual factors for all reflections included in the refinement	0.2857
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180304 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/18.	7151826.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7151826.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7151826.cif
21282	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 7151823, 7151824, 7151825, 7151826 via cif-deposit CGI script.	7151826.cif