Crystallography Open Database

Information card for entry 1557424

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Structure parameters

Formula	C19 H33 Cl F N O10
Calculated formula	C19 H33 Cl F N O10
SMILES	C(c1ccc(cc1)F)[NH3+].C1COCCOCCOCCOCCOCCO1.Cl(=O)(=O)(=O)[O-]
Title of publication	Nonlinear Optical and Photoluminescence Bistable Responses Accompanied by Tunable Dielectric Behaviors in Crown Inclusions
Authors of publication	Jiang, Fan; Wang, Chang-Feng; Wu, Ya-Xing; Li, Hui-Hui; Shi, Chao; Ye, Heng-Yun; Zhang, Yi
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2020
a	10.4391 ± 0.001 Å
b	11.8365 ± 0.0008 Å
c	10.5951 ± 0.001 Å
α	90°
β	116.601 ± 0.012°
γ	90°
Cell volume	1170.6 ± 0.2 Å³
Cell temperature	158 ± 2 K
Ambient diffraction temperature	158 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0736
Residual factor for significantly intense reflections	0.0681
Weighted residual factors for significantly intense reflections	0.206
Weighted residual factors for all reflections included in the refinement	0.2098
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1557424.cif
248619	2020-03-03	cif/ Adding structures of 1557424 via cif-deposit CGI script.	1557424.cif