Crystallography Open Database

Information card for entry 7228050

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Structure parameters

Formula	C30 H35 N3 O5 Zn
Calculated formula	C30 H35 N3 O5 Zn
SMILES	[Zn]123(Oc4c(C=[N]2c2c([N]3=Cc3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)ccc(N(=O)=O)c2)cccc4)[OH]CC
Title of publication	Red-shift in fluorescence emission of D–A type asymmetrical Zn(ii) complexes by extending the π–π stacking interaction
Authors of publication	Wang, Wen-Jie; Hao, Liang; Chen, Chao-Yuan; Qiu, Qi-Ming; Wang, Ke; Song, Jian-Biao; Li, Hui
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	33
Pages of publication	20488
a	23.447 ± 0.003 Å
b	18.503 ± 0.003 Å
c	14.697 ± 0.002 Å
α	90°
β	109.402 ± 0.005°
γ	90°
Cell volume	6014 ± 1.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.1261
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.0735
Weighted residual factors for all reflections included in the refinement	0.0877
Goodness-of-fit parameter for all reflections included in the refinement	0.786
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.	7228050.cif
195327	2017-04-11	cif/ Adding structures of 7228049, 7228050 via cif-deposit CGI script.	7228050.cif