Crystallography Open Database

Information card for entry 7153110

Preview

Coordinates	7153110.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	peptide
Formula	C35 H38 Br N5 O6
Calculated formula	C35 H38 Br N5 O6.125
Title of publication	Switching the H-bonding network of a foldamer by modulating the backbone chirality and constitutional ratio of amino acids.
Authors of publication	Ramesh, Veera V. E.; Vijayadas, Kuruppanthara N.; Dhokale, Snehal; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2013
Journal volume	11
Journal issue	41
Pages of publication	7072 - 7075
a	14.1383 ± 0.0003 Å
b	15.9256 ± 0.0003 Å
c	16.0775 ± 0.0004 Å
α	90°
β	112.556 ± 0.001°
γ	90°
Cell volume	3343.11 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.031
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.0602
Weighted residual factors for all reflections included in the refinement	0.0615
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
180317 (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 7/15/31.	7153110.cif
88948	2013-10-09	cif/ Adding structures of 7153109, 7153110, 7153111, 7153112 via cif-deposit CGI script.	7153110.cif