Crystallography Open Database

Information card for entry 7219031

7219030 << 7219031 >> 7219032

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Structure parameters

Formula	C32 H32 N2 O3
Calculated formula	C32 H32 N2 O3
SMILES	O1C2(N(c3ccccc3C2(C)C)Cc2ccccc12)/C=C/c1cc2ccc(N(CC)CC)cc2oc1=O
Title of publication	A colorimetric and ratiometric fluorescent pH probe based on ring opening/closing approach and its applications in monitoring cellular pH change
Authors of publication	Chan, Wing-Hong; You, Qi-Hua; Lee, Yeeman; Mak, Nai-Ki; Lee, Albert W. M.; Hau, Sam Chunkit; Mak, Thomas C. W.
Journal of publication	RSC Adv.
Year of publication	2014
a	11.5661 ± 0.0008 Å
b	17.7172 ± 0.0012 Å
c	14.3741 ± 0.001 Å
α	90°
β	105.941 ± 0.002°
γ	90°
Cell volume	2832.3 ± 0.3 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0627
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.0981
Weighted residual factors for all reflections included in the refinement	0.1038
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7219031.cif
180521	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/90.	7219031.cif
128491	2014-12-09	cif/ Adding structures of 7219031 via cif-deposit CGI script.	7219031.cif