Crystallography Open Database

Information card for entry 1501970

1501969 << 1501970 >> 1501971

Preview

Coordinates	1501970.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H28 O8
Calculated formula	C29 H28 O8
SMILES	OC(=O)c1c(OC)cc(OC)cc1c1c(O)c2c(OC)cc(OC)cc2cc1COCc1ccccc1
Title of publication	Synthetic studies toward A-74528.
Authors of publication	Hager, Anastasia; Mazunin, Dmitry; Mayer, Peter; Trauner, Dirk
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	6
Pages of publication	1386 - 1389
a	18.0088 ± 0.0008 Å
b	8.1117 ± 0.0003 Å
c	18.6667 ± 0.0009 Å
α	90°
β	113.387 ± 0.005°
γ	90°
Cell volume	2502.8 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0808
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1247
Weighted residual factors for all reflections included in the refinement	0.1338
Goodness-of-fit parameter for all reflections included in the refinement	0.908
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.	1501970.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1501970.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501970.cif
35308	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1501970, 1501971, 1501972 via cif-deposit CGI script.	1501970.cif