Crystallography Open Database

Information card for entry 7153820

Preview

Coordinates	7153820.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4-(Benzyloxy)-8-(methyl)-6-[(5,6,7-trimethoxy-1H-indol-2-yl)carbonyl]- 7,8-dihydrofuro[2,3-e]indol
Formula	C30 H28 N2 O6
Calculated formula	C30 H28 N2 O6
SMILES	O(c1cc2cc([nH]c2c(OC)c1OC)C(=O)N1CC(c2c3occc3c(OCc3ccccc3)cc12)C)C
Title of publication	A versatile synthesis of "tafuramycin A": a potent anticancer and parasite attenuating agent.
Authors of publication	El-Deeb, Ibrahim M; Rose, Faith J.; Healy, Peter C.; von Itzstein, Mark
Journal of publication	Organic & biomolecular chemistry
Year of publication	2014
Journal volume	12
Journal issue	24
Pages of publication	4260 - 4264
a	19.347 ± 0.003 Å
b	10.2965 ± 0.0008 Å
c	12.7704 ± 0.0019 Å
α	90°
β	105.329 ± 0.015°
γ	90°
Cell volume	2453.4 ± 0.6 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
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	0.287
Residual factor for significantly intense reflections	0.0922
Weighted residual factors for significantly intense reflections	0.1759
Weighted residual factors for all reflections included in the refinement	0.2699
Goodness-of-fit parameter for all reflections included in the refinement	0.957
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180324 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/38.	7153820.cif
116292	2014-06-07	cif/ Updating files of 7153820 Original log message: Adding full bibliography for 7153820.cif.	7153820.cif
113073	2014-05-08	cif/ Adding structures of 7153820 via cif-deposit CGI script.	7153820.cif