Crystallography Open Database

Information card for entry 4109493

Preview

Coordinates	4109493.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 N2 O2
Calculated formula	C24 H24 N2 O2
SMILES	O1c2cc(ccc2C2(c3c1cc(cc3)N(C)C)OCc1ccccc21)N(C)C
Title of publication	Development of a Highly Specific Rhodamine-Based Fluorescence Probe for Hypochlorous Acid and Its Application to Real-Time Imaging of Phagocytosis
Authors of publication	Suguru Kenmoku; Yasuteru Urano; Hirotatsu Kojima; Tetsuo Nagano
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	7313 - 7318
a	6.6952 ± 0.0004 Å
b	18.1555 ± 0.0014 Å
c	7.956 ± 0.0006 Å
α	90°
β	96.612 ± 0.003°
γ	90°
Cell volume	960.66 ± 0.12 Å³
Cell temperature	99.1 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for all reflections included in the refinement	0.1203
Goodness-of-fit parameter for all reflections included in the refinement	0.89
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4109493.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109493.cif
58270	2012-05-28	cif/ Adding structures of 4109493 via cif-deposit CGI script.	4109493.cif