Crystallography Open Database

Information card for entry 4114383

Preview

Coordinates	4114383.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	cellulose
Formula	C12 H14 D10 O6
Calculated formula	C12 H14 D6 O10
Title of publication	Crystal Structure and Hydrogen Bonding System in Cellulose Iαfrom Synchrotron X-ray and Neutron Fiber Diffraction
Authors of publication	Yoshiharu Nishiyama; Junji Sugiyama; Henri Chanzy; Paul Langan
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	14300 - 14306
a	10.4 ± 0.0005 Å
b	6.717 ± 0.006 Å
c	5.962 ± 0.007 Å
α	80.37 ± 0.05°
β	118.08 ± 0.05°
γ	114.8 ± 0.05°
Cell volume	333.3 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.205
Residual factor for significantly intense reflections	0.2049
Weighted residual factors for significantly intense reflections	0.4566
Weighted residual factors for all reflections included in the refinement	0.4566
Goodness-of-fit parameter for all reflections included in the refinement	2.688
Diffraction radiation wavelength	1.3058 Å
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178914 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/43.	4114383.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114383.cif
67696	2012-10-02	cif/ Adding structures of 4114383 via cif-deposit CGI script.	4114383.cif