Crystallography Open Database

Information card for entry 4027257

Preview

Coordinates	4027257.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H31 N3 O8
Calculated formula	C31 H31 N3 O8
Title of publication	Synthesis of the Aminocyclitol Units of (-)-Hygromycin A and Methoxyhygromycin from myo-Inositol
Authors of publication	Bharat P. Gurale; Mysore S. Shashidhar; Rajesh G. Gonnade
Journal of publication	Journal of Organic Chemistry
Year of publication	2012
Journal volume	77
Pages of publication	5801 - 5807
a	7.4388 ± 0.0005 Å
b	26.4633 ± 0.0017 Å
c	14.6237 ± 0.001 Å
α	90°
β	93.58 ± 0.003°
γ	90°
Cell volume	2873.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0527
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0752
Weighted residual factors for all reflections included in the refinement	0.0821
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
178451 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/72.	4027257.cif
81329	2013-04-15	cif/ Adding structures of 4027257 via cif-deposit CGI script.	4027257.cif