Crystallography Open Database

Information card for entry 4030304

Preview

Coordinates	4030304.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46.4 H47.2 Br2 Cl0.8 N6 O8.2
Calculated formula	C46.4029 H47.1938 Br2 Cl0.806 N6 O8.194
Title of publication	Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine.
Authors of publication	Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.
Journal of publication	The Journal of organic chemistry
Year of publication	2014
Journal volume	80
Journal issue	1
Pages of publication	528
a	17.6618 ± 0.0008 Å
b	17.4368 ± 0.0007 Å
c	13.5068 ± 0.0005 Å
α	90°
β	96.873 ± 0.002°
γ	90°
Cell volume	4129.7 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0953
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.0955
Weighted residual factors for all reflections included in the refinement	0.0967
Goodness-of-fit parameter for all reflections included in the refinement	3.308
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
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.	4030304.cif
138287	2015-06-05	cif/ Updating files of 4030304, 4030305, 4030306, 4030307, 4030308, 4030309, 4030310, 4030311, 4030312, 4030313 Original log message: Adding full bibliography for 4030304--4030313.cif.	4030304.cif
128335	2014-12-06	cif/ Adding structures of 4030304 via cif-deposit CGI script.	4030304.cif