Crystallography Open Database

Information card for entry 1562353

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Structure parameters

Formula	C62.5 H75 Cl N4
Calculated formula	C62.5 H75 Cl N4
SMILES	ClCCl.N(c1ccc(cc1)/C(=C(/c1ccc(N(c2ccc(cc2)C(C)(C)C)c2ccc(cc2)C(C)(C)C)cc1)C#N)C#N)(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1.C(CCCC)C
Title of publication	Organic Nanoparticles-Assisted Low-Power STED Nanoscopy.
Authors of publication	Man, Zhongwei; Cui, Hongtu; Lv, Zheng; Xu, Zhenzhen; Wu, Zhaoyang; Wu, Yishi; Liao, Qing; Liu, Meihui; Xi, Peng; Zheng, Lemin; Fu, Hongbing
Journal of publication	Nano letters
Year of publication	2021
Journal volume	21
Journal issue	8
Pages of publication	3487 - 3494
a	14.5082 ± 0.0004 Å
b	20.329 ± 0.0006 Å
c	37.5089 ± 0.0012 Å
α	90°
β	97.29 ± 0.004°
γ	90°
Cell volume	10973.3 ± 0.6 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.1158
Residual factor for significantly intense reflections	0.0932
Weighted residual factors for significantly intense reflections	0.2633
Weighted residual factors for all reflections included in the refinement	0.2919
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301787 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure.	1562353.cif
264813	2021-05-04	cif/ Adding structures of 1562353 via cif-deposit CGI script.	1562353.cif