Crystallography Open Database

Information card for entry 7156306

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Structure parameters

Formula	C34 H46 N4 O3 S2
Calculated formula	C34 H46 N4 O3 S2
Title of publication	A fluorescence-enhanced chemosensor based on multifarene[2,2] and its recognition of metal cations.
Authors of publication	Huang, Yin-Hui; Jin, Xian-Yi; Zhao, Yong-Yi; Cong, Hang; Tao, Zhu
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	29
Pages of publication	5343 - 5349
a	13.5505 ± 0.0019 Å
b	14.85 ± 0.002 Å
c	16.762 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3372.9 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1665
Residual factor for significantly intense reflections	0.1028
Weighted residual factors for significantly intense reflections	0.256
Weighted residual factors for all reflections included in the refinement	0.3001
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
301861 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure.	7156306.cif
230574	2019-11-17	cif/ Updating files of 7156306 Original log message: Adding full bibliography for 7156306.cif.	7156306.cif
208874	2018-07-06	cif/ Adding structures of 7156306 via cif-deposit CGI script.	7156306.cif