Crystallography Open Database

Information card for entry 7226031

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Structure parameters

Chemical name	FM2
Formula	C20 H22 N2 O6
Calculated formula	C20 H22 N2 O6
SMILES	N1(C(=O)c2c3c(C1=O)ccc1OCCN(c(cc2)c31)CCO)CCOCCO
Title of publication	Novel nonplanar and rigid fluorophores with intensive emission in water and the application in two-photon imaging of live cells
Authors of publication	Zhang, Jingwen; Wang, Chao; Zhang, Lei; Wu, Huijing; Xiao, Yi; xu, yufang; Qian, Xu Hong; Zhu, Weiping
Journal of publication	RSC Adv.
Year of publication	2016
a	11.177 ± 0.004 Å
b	10.727 ± 0.004 Å
c	29.751 ± 0.011 Å
α	90°
β	90°
γ	90°
Cell volume	3567 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1455
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.129
Weighted residual factors for all reflections included in the refinement	0.1587
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7226031.cif
184648	2016-07-23	cif/ Adding structures of 7226031 via cif-deposit CGI script.	7226031.cif