Crystallography Open Database

Information card for entry 4027857

Preview

Coordinates	4027857.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H52 O8 S4
Calculated formula	C37 H52 O8 S4
Title of publication	Toward the Synthesis of Phomoidride D
Authors of publication	Graham K. Murphy; Tatsuya Shirahata; Naoto Hama; Aaron Bedermann; Ping Dong; Travis C. McMahon; Barry M. Twenter; David A. Spiegel; Ivar M. McDonald; Nobuaki Taniguchi; Munenori Inoue; John L. Wood
Journal of publication	Journal of Organic Chemistry
Year of publication	2013
Journal volume	78
Pages of publication	477 - 489
a	21.99 ± 0.004 Å
b	15.567 ± 0.003 Å
c	22.168 ± 0.004 Å
α	90°
β	97.75 ± 0.03°
γ	90°
Cell volume	7519 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1542
Residual factor for significantly intense reflections	0.0717
Weighted residual factors for significantly intense reflections	0.1646
Weighted residual factors for all reflections included in the refinement	0.2028
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
178457 (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 4/02/78.	4027857.cif
93898	2014-01-20	cif/ Adding structures of 4027857 via cif-deposit CGI script.	4027857.cif