Crystallography Open Database

Information card for entry 1504492

Preview

Coordinates	1504492.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H24 O5
Calculated formula	C19 H24 O5
SMILES	[C@H]1([C@]2([C@@H]([C@@H](c3ccccc13)OC(=O)C(C)C)O2)C)OC(=O)C(C)C.[C@@H]1([C@@]2([C@H]([C@H](c3ccccc13)OC(=O)C(C)C)O2)C)OC(=O)C(C)C
Title of publication	A biogenetically-inspired synthesis of a ring-D model of kinamycin F: insights into the conformation of ring D.
Authors of publication	Chen, Nan; Carrière, Marjolaine B; Laufer, Radoslaw S.; Taylor, Nicholas J.; Dmitrienko, Gary I.
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	3
Pages of publication	381 - 384
a	9.2389 ± 0.0008 Å
b	10.048 ± 0.0009 Å
c	10.7755 ± 0.0009 Å
α	110.302 ± 0.002°
β	97.268 ± 0.002°
γ	106.443 ± 0.002°
Cell volume	871.27 ± 0.13 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.0963
Weighted residual factors for all reflections included in the refinement	0.0986
Goodness-of-fit parameter for all reflections included in the refinement	1.164
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1504492.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504492.cif
42110	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504492 via cif-deposit CGI script.	1504492.cif