Crystallography Open Database

Information card for entry 4109493

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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
301832 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure.	4109493.cif
176467	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