Crystallography Open Database

Information card for entry 8103078

Preview

Coordinates	8103078.cif

Structure parameters

Chemical name	1-deoxy-1-(3-hydroxypropyl)-O-triphenylmethyl-β-D-lyxofuranose
Formula	C27 H30 O5
Calculated formula	C27 H30 O5
Title of publication	Crystal structure of 1-deoxy-1-(3-hydroxypropyl)-O-triphenylmethyl-β-D-lyxofuranose, C27H30O5
Authors of publication	Bogdan Doboszewski; Flávia de Toni Uchôa; Alexander Y. Nazarenko; Victor N. Nemykin
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	1
Pages of publication	61
a	9.4966 ± 0.00017 Å
b	9.79355 ± 0.00018 Å
c	12.8341 ± 0.0009 Å
α	90°
β	98.698 ± 0.007°
γ	90°
Cell volume	1179.91 ± 0.09 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0604
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.0919
Weighted residual factors for all reflections included in the refinement	0.119
Goodness-of-fit parameter for all reflections included in the refinement	1.152
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103078.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103078.cif
28984	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103078 via cif-deposit CGI script.	8103078.cif