Crystallography Open Database

Information card for entry 7111723

Preview

Coordinates	7111723.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H87 Cl4 N4 O16
Calculated formula	C64 H87 Cl4 N4 O16
Title of publication	A1,3-strain enabled retention of chirality during bis-cyclization of β-ketoamides: total synthesis of (−)-salinosporamide A and (−)-homosalinosporamide A
Authors of publication	Nguyen, Henry; Ma, Gil; Romo, Daniel
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	26
Pages of publication	4803 - 4805
a	9.694 ± 0.003 Å
b	25.624 ± 0.009 Å
c	13.118 ± 0.004 Å
α	90°
β	93.571 ± 0.013°
γ	90°
Cell volume	3252.2 ± 1.8 Å³
Cell temperature	383 ± 2 K
Ambient diffraction temperature	383 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1842
Residual factor for significantly intense reflections	0.0821
Weighted residual factors for significantly intense reflections	0.1159
Weighted residual factors for all reflections included in the refinement	0.1448
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
180231 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/17.	7111723.cif
96752	2014-01-29	cif/ Adding structures of 7111723 via cif-deposit CGI script.	7111723.cif