Crystallography Open Database

Information card for entry 4512582

Preview

Coordinates	4512582.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98.91 H133.82 O24.1
Calculated formula	C98.912 H133.824 O24.098
Title of publication	Synthesis, stereochemical analysis, and derivatization of myricanol provide new probes that promote autophagic tau clearance.
Authors of publication	Martin, Mackenzie D.; Calcul, Laurent; Smith, Courtney; Jinwal, Umesh K.; Fontaine, Sarah N.; Darling, April; Seeley, Kent; Wojtas, Lukasz; Narayan, Malathi; Gestwicki, Jason E.; Smith, Garry R.; Reitz, Allen B.; Baker, Bill J.; Dickey, Chad A.
Journal of publication	ACS chemical biology
Year of publication	2015
Journal volume	10
Journal issue	4
Pages of publication	1099 - 1109
a	49.7851 ± 0.0012 Å
b	49.7851 ± 0.0012 Å
c	6.7498 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	14488.4 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	169
Hermann-Mauguin space group symbol	P 61
Hall space group symbol	P 61
Residual factor for all reflections	0.1303
Residual factor for significantly intense reflections	0.0862
Weighted residual factors for significantly intense reflections	0.2079
Weighted residual factors for all reflections included in the refinement	0.2372
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4512582.cif
138032	2015-06-05	cif/ Updating files of 4512581, 4512582, 4512583 Original log message: Adding full bibliography for 4512581--4512583.cif.	4512582.cif
130338	2015-02-04	cif/ Adding structures of 4512582 via cif-deposit CGI script.	4512582.cif