Crystallography Open Database

Information card for entry 7151802

Preview

Coordinates	7151802.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H15 N O2
Calculated formula	C25 H15 N O2
SMILES	N#CC1=Cc2c(=O)c3ccccc3oc2C(c2c1cccc2)c1ccccc1
Title of publication	Synthesis of novel functional polycyclic chromones through Michael addition and double cyclizations.
Authors of publication	Liu, Yang; Huang, Liping; Xie, Fuchun; Chen, Xuxing; Hu, Youhong
Journal of publication	Organic & biomolecular chemistry
Year of publication	2011
Journal volume	9
Journal issue	8
Pages of publication	2680 - 2684
a	12.6312 ± 0.0012 Å
b	12.1657 ± 0.0012 Å
c	12.2949 ± 0.0012 Å
α	90°
β	109.24 ± 0.002°
γ	90°
Cell volume	1783.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0604
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1374
Weighted residual factors for all reflections included in the refinement	0.1443
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
180304 (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 7/15/18.	7151802.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7151802.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7151802.cif
21271	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 7151802, 7151803 via cif-deposit CGI script.	7151802.cif