Crystallography Open Database

Information card for entry 4512583

Preview

Coordinates	4512583.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H26 O5
Calculated formula	C21 H26 O5
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	22.3255 ± 0.001 Å
b	22.3255 ± 0.001 Å
c	14.2555 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	7105.3 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.99 K
Number of distinct elements	3
Space group number	88
Hermann-Mauguin space group symbol	I 41/a
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0529
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1166
Weighted residual factors for all reflections included in the refinement	0.1231
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179672 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/25.	4512583.cif
138032	2015-06-05	cif/ Updating files of 4512581, 4512582, 4512583 Original log message: Adding full bibliography for 4512581--4512583.cif.	4512583.cif
130339	2015-02-04	cif/ Adding structures of 4512583 via cif-deposit CGI script.	4512583.cif