Crystallography Open Database

Information card for entry 1503136

Preview

Coordinates	1503136.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H28 O7
Calculated formula	C35 H20 O7
SMILES	O=C1c2cc(ccc2Oc2c1c1c(c(O)c2c2ccccc2)cc(cc1)C(=O)c1c(O)cccc1)C.O=C(OCC)C
Title of publication	An efficient approach to functionalized benzo[a]xanthones through reactions of 2-methyl-3-(1-alkynyl)chromones with electron-deficient chromone-fused dienes.
Authors of publication	Gong, Jian; Xie, Fuchun; Chen, Hong; Hu, Youhong
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	17
Pages of publication	3848 - 3851
a	7.0113 ± 0.0015 Å
b	11.773 ± 0.003 Å
c	17.526 ± 0.004 Å
α	88.586 ± 0.004°
β	84.72 ± 0.004°
γ	81.072 ± 0.004°
Cell volume	1423 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.159
Residual factor for significantly intense reflections	0.0816
Weighted residual factors for significantly intense reflections	0.2065
Weighted residual factors for all reflections included in the refinement	0.2377
Goodness-of-fit parameter for all reflections included in the refinement	0.875
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1503136.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503136.cif
37033	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503136 via cif-deposit CGI script.	1503136.cif