Crystallography Open Database

Information card for entry 1503801

Preview

Coordinates	1503801.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cbz-{(1R,3S)-Ac5cOM}6-OMe
Formula	C51 H76 N6 O15
Calculated formula	C51 H76 N6 O15
Title of publication	Helical-screw directions of diastereoisomeric cyclic alpha-amino acid oligomers.
Authors of publication	Nagano, Masanobu; Tanaka, Masakazu; Doi, Mitsunobu; Demizu, Yosuke; Kurihara, Masaaki; Suemune, Hiroshi
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	5
Pages of publication	1135 - 1137
a	11.742 ± 0.009 Å
b	19.072 ± 0.015 Å
c	23.416 ± 0.018 Å
α	90°
β	92.844 ± 0.012°
γ	90°
Cell volume	5237 ± 7 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	0.1146
Residual factor for significantly intense reflections	0.0996
Weighted residual factors for significantly intense reflections	0.2711
Weighted residual factors for all reflections included in the refinement	0.2888
Goodness-of-fit parameter for all reflections included in the refinement	1.36
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1503801.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503801.cif
39091	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1503801 via cif-deposit CGI script.	1503801.cif