Crystallography Open Database

Information card for entry 4109470

Preview

Coordinates	4109470.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H30 N2 O6
Calculated formula	C33.842 H30 N2 O6
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	12.9652 ± 0.0009 Å
b	8.1963 ± 0.0006 Å
c	26.6271 ± 0.0018 Å
α	90°
β	93.3 ± 0.002°
γ	90°
Cell volume	2824.9 ± 0.3 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.136
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.0978
Weighted residual factors for all reflections included in the refinement	0.1172
Goodness-of-fit parameter for all reflections included in the refinement	0.803
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4109470.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109470.cif
58244	2012-05-25	cif/ Adding structures of 4109470 via cif-deposit CGI script.	4109470.cif