Crystallography Open Database

Information card for entry 4109469

Preview

Coordinates	4109469.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H31 Cl2 N3 O3
Calculated formula	C31 H31 Cl2 N3 O3
Title of publication	Solid-Phase Synthesis of Multiple Classes of Peptidomimetics from Versatile Resin-Bound Aldehyde Intermediates
Authors of publication	William L. Scott; Jacek G. Martynow; John C. Huffman; Martin J. O'Donnell
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	7077 - 7088
a	8.9769 ± 0.001 Å
b	12.873 ± 0.0014 Å
c	12.972 ± 0.0015 Å
α	87.302 ± 0.004°
β	79.571 ± 0.003°
γ	76.007 ± 0.003°
Cell volume	1430.5 ± 0.3 Å³
Cell temperature	128 ± 2 K
Ambient diffraction temperature	128 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0829
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1008
Weighted residual factors for all reflections included in the refinement	0.1161
Goodness-of-fit parameter for all reflections included in the refinement	0.875
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4109469.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109469.cif
58243	2012-05-25	cif/ Adding structures of 4109469 via cif-deposit CGI script.	4109469.cif