Crystallography Open Database

Information card for entry 1543362

Preview

Coordinates	1543362.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H43 N O12
Calculated formula	C33.5 H43 N O11.56
Title of publication	Total Synthesis of the GRP78-Downregulatory Macrolide (+)-Prunustatin A, the Immunosuppressant (+)-SW-163A, and a JBIR-04 Diastereoisomer That Confirms JBIR-04 Has Nonidentical Stereochemistry to (+)-Prunustatin A.
Authors of publication	Manaviazar, Soraya; Nockemann, Peter; Hale, Karl J.
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	12
Pages of publication	2902 - 2905
a	27.6917 ± 0.0006 Å
b	14.8522 ± 0.0002 Å
c	8.87923 ± 0.00016 Å
α	90°
β	90°
γ	90°
Cell volume	3651.87 ± 0.11 Å³
Cell temperature	292.41 ± 0.1 K
Ambient diffraction temperature	292.41 ± 0.1 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0885
Residual factor for significantly intense reflections	0.0861
Weighted residual factors for significantly intense reflections	0.2445
Weighted residual factors for all reflections included in the refinement	0.2485
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
184966 (current)	2016-08-05	cif/ Updating files of 1543360, 1543361, 1543362, 1543363 Original log message: Adding full bibliography for 1543360--1543363.cif.	1543362.cif
183110	2016-05-28	cif/ Adding structures of 1543362 via cif-deposit CGI script.	1543362.cif