Crystallography Open Database

Information card for entry 4103183

Preview

Coordinates	4103183.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H27 N O6
Calculated formula	C25 H27 N O6
SMILES	C12=C3[C@H](CC[C@@H]2[C@H](CC2=C[C@@H](C[C@@]2([C@@H]1OC3=O)C)OC(=O)c1ccc(cc1)N(=O)=O)C)C
Title of publication	Asymmetric Total Synthesis of Caribenol A
Authors of publication	Lian-Zhu Liu; Jin-Chun Han; Guo-Zong Yue; Chuang-Chuang Li; Zhen Yang
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	13608 - 13609
a	10.28 ± 0.002 Å
b	10.274 ± 0.002 Å
c	10.758 ± 0.002 Å
α	90°
β	96.23 ± 0.03°
γ	90°
Cell volume	1129.5 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0618
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1426
Weighted residual factors for all reflections included in the refinement	0.1486
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178777 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/31.	4103183.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103183.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103183.cif
26138	2011-09-19	../uploads/cif-deposit/cod/cif Adding structures of 4103183 via cif-deposit CGI script.	4103183.cif