Crystallography Open Database

Information card for entry 7155864

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Structure parameters

Formula	C70 H75 Br5 O10
Calculated formula	C70 H75 Br5 O10
Title of publication	A New Synthetic Method for Non-symmetric Pillar[5]arenes with Simple Isolation and Improved Yield
Authors of publication	Ding, Jiaming; Chen, Jiafu; Mao, Weipeng; Huang, Junrou; Ma, Da
Journal of publication	Org. Biomol. Chem.
Year of publication	2017
a	12.16 ± 0.004 Å
b	16.526 ± 0.005 Å
c	19.764 ± 0.006 Å
α	75.92 ± 0.005°
β	73.481 ± 0.005°
γ	86.123 ± 0.006°
Cell volume	3693 ± 2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2148
Residual factor for significantly intense reflections	0.138
Weighted residual factors for significantly intense reflections	0.3774
Weighted residual factors for all reflections included in the refinement	0.4184
Goodness-of-fit parameter for all reflections included in the refinement	1.163
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7155864.cif
200120	2017-09-02	cif/ Adding structures of 7155864 via cif-deposit CGI script.	7155864.cif