Crystallography Open Database

Information card for entry 2310142

Preview

Coordinates	2310142.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H26 N2 O7
Calculated formula	C16 H26 N2 O7
Title of publication	Interaction of serum amyloid P component with hexanoyl bis(<small>D</small>-proline) (CPHPC)
Authors of publication	Kolstoe, Simon E.; Jenvey, Michelle C.; Purvis, Alan; Light, Mark E.; Thompson, Darren; Hughes, Peter; Pepys, Mark B.; Wood, Stephen P.
Journal of publication	Acta Crystallographica Section D
Year of publication	2014
Journal volume	70
Journal issue	8
Pages of publication	2232 - 2240
a	10.1602 ± 0.0002 Å
b	10.4228 ± 0.0002 Å
c	16.3042 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1726.58 ± 0.06 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.042
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0823
Weighted residual factors for all reflections included in the refinement	0.0857
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
176809 (current)	2016-02-21	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2.	2310142.cif
120825	2014-07-27	cif/ Adding structures of 2310142 via cif-deposit CGI script.	2310142.cif