Crystallography Open Database

Information card for entry 7108628

Preview

Coordinates	7108628.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H23 N O6
Calculated formula	C22 H23 N O6
Title of publication	A coumarin-Meldrum's acid conjugate based chemodosimetric probe for cyanide
Authors of publication	Hongda Li; Zhi Wen; Longyi Jin; Yuhe Kan; Bingzhu Yin
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	11659
a	27.689 ± 0.005 Å
b	7.9853 ± 0.0016 Å
c	18.998 ± 0.004 Å
α	90°
β	93.73 ± 0.03°
γ	90°
Cell volume	4191.7 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2751
Residual factor for significantly intense reflections	0.0951
Weighted residual factors for significantly intense reflections	0.2325
Weighted residual factors for all reflections included in the refinement	0.3556
Goodness-of-fit parameter for all reflections included in the refinement	0.903
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7108628.html