Crystallography Open Database

Information card for entry 1507320

Preview

Coordinates	1507320.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H28 O8
Calculated formula	C18 H28 O8
Title of publication	Stereochemical diversity through cyclodimerization: synthesis of polyketide-like macrodiolides.
Authors of publication	Su, Qibin; Beeler, Aaron B.; Lobkovsky, Emil; Porco, Jr, John A; Panek, James S.
Journal of publication	Organic letters
Year of publication	2003
Journal volume	5
Journal issue	12
Pages of publication	2149 - 2152
a	11.4095 ± 0.0008 Å
b	5.3468 ± 0.0004 Å
c	15.4399 ± 0.0011 Å
α	90°
β	98.187 ± 0.001°
γ	90°
Cell volume	932.3 ± 0.12 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	3
Hermann-Mauguin space group symbol	P 1 2 1
Hall space group symbol	P 2y
Residual factor for all reflections	0.0575
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1112
Weighted residual factors for all reflections included in the refinement	0.1189
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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.	1507320.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507320.cif
53818	2012-04-20	cif/ Adding structures of 1507320 via cif-deposit CGI script.	1507320.cif