Crystallography Open Database

Information card for entry 7150796

Preview

Coordinates	7150796.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H28 N2 O6
Calculated formula	C25 H28 N2 O6
SMILES	O(c1ccc(c2c(N)c(oc12)C(=O)C)/C(=C/C(=O)NCCc1cc(OC)c(OC)cc1)C)C
Title of publication	Preparation of 2-, 3-, 4- and 7-(2-alkylcarbamoyl-1-alkylvinyl)benzo[b]furans and their BLT1 and/or BLT2 inhibitory activities
Authors of publication	Ando, Kumiko; Kawamura, Yoko; Akai, Yukiko; Kunitomo, Jun-ichi; Yokomizo, Takehiko; Yamashita, Masayuki; Ohta, Shunsaku; Ohishi, Takahiro; Ohishi, Yoshitaka
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2008
Journal volume	6
Journal issue	2
Pages of publication	296 - 307
a	5.07959 ± 0.00013 Å
b	16.8946 ± 0.0004 Å
c	27.9131 ± 0.0007 Å
α	78.308 ± 0.0014°
β	89.999 ± 0.0014°
γ	81.384 ± 0.0014°
Cell volume	2318.12 ± 0.1 Å³
Cell temperature	296.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for all reflections included in the refinement	0.0986
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7150796.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7150796.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7150796.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7150796.cif