Crystallography Open Database

Information card for entry 4116130

Preview

Coordinates	4116130.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H27 N O4
Calculated formula	C16 H27 N O4
Title of publication	Enantiospecific Synthesis of (+)-Byssochlamic Acid, a Nonadride from the Ascomycete Byssochlamysfulva
Authors of publication	James D. White; Jungchul Kim; Nicholas E. Drapela
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	8665 - 8671
a	5.999 ± 0.002 Å
b	11.212 ± 0.002 Å
c	13.274 ± 0.003 Å
α	98.53 ± 0.01°
β	91.64 ± 0.02°
γ	96.5 ± 0.02°
Cell volume	876.3 ± 0.4 Å³
Cell temperature	566 ± 2 K
Ambient diffraction temperature	566 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0948
Residual factor for significantly intense reflections	0.0803
Weighted residual factors for significantly intense reflections	0.2339
Weighted residual factors for all reflections included in the refinement	0.2555
Goodness-of-fit parameter for all reflections included in the refinement	1.78
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
178932 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/61.	4116130.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4116130.cif
70709	2013-01-04	cif/ Adding structures of 4116130 via cif-deposit CGI script.	4116130.cif