Crystallography Open Database

Information card for entry 7226746

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Structure parameters

Chemical name	AP/DB18C6 cocrystal
Formula	C30 H40 Cl N O13
Calculated formula	C30 H40 Cl N O13
Title of publication	Cocrystals of ammonium perchlorate with a series of crown ethers: preparation, structures, and properties
Authors of publication	Cheng, Minmin; Liu, Xun; Luo, Qingping; Duan, Xiaohui; Pei, Chonghua
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	43
Pages of publication	8487
a	12.6348 ± 0.0002 Å
b	12.918 ± 0.0002 Å
c	20.7752 ± 0.0003 Å
α	90°
β	107.36 ± 0.0017°
γ	90°
Cell volume	3236.39 ± 0.09 Å³
Cell temperature	294.39 ± 0.1 K
Ambient diffraction temperature	294.39 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0894
Residual factor for significantly intense reflections	0.0823
Weighted residual factors for significantly intense reflections	0.248
Weighted residual factors for all reflections included in the refinement	0.26
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
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.	7226746.cif
188085	2016-11-08	cif/ Updating files of 7226745, 7226746, 7226747 Original log message: Adding full bibliography for 7226745--7226747.cif.	7226746.cif
187218	2016-10-08	cif/ Adding structures of 7226745, 7226746, 7226747 via cif-deposit CGI script.	7226746.cif