Crystallography Open Database

Information card for entry 4135348

Preview

Coordinates	4135348.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H66 Br10 O11
Calculated formula	C60 H66 Br10 O11
Title of publication	Selective Separation of Methylfuran and Dimethylfuran by Nonporous Adaptive Crystals of Pillararenes.
Authors of publication	Wu, Yitao; Zhou, Jiong; Li, Errui; Wang, Mengbin; Jie, Kecheng; Zhu, Huangtianzhi; Huang, Feihe
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	46
Pages of publication	19722 - 19730
a	24.4691 ± 0.0009 Å
b	20.7774 ± 0.0008 Å
c	12.8545 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	6535.3 ± 0.4 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	169.98 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1304
Residual factor for significantly intense reflections	0.0982
Weighted residual factors for significantly intense reflections	0.2904
Weighted residual factors for all reflections included in the refinement	0.3197
Goodness-of-fit parameter for all reflections included in the refinement	1.173
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
259514 (current)	2020-12-04	cif/ Updating files of 4135342, 4135343, 4135344, 4135345, 4135346, 4135347, 4135348, 4135349 Original log message: Adding full bibliography for 4135342--4135349.cif.	4135348.cif
259087	2020-11-11	cif/ Adding structures of 4135348 via cif-deposit CGI script.	4135348.cif