Crystallography Open Database

Information card for entry 7108544

Preview

Coordinates	7108544.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C99 H126 O18
Calculated formula	C99 H126 O18
Title of publication	Pillar[n]arenes (n = 8-10) with two cavities: synthesis, structures and complexing properties
Authors of publication	Jun-Li Hou; Xiao-Bo Hu; Zhenxia Chen; Lei Chen; Ling Zhang; Zhan-Ting Li
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	10999
a	11.872 ± 0.003 Å
b	43.653 ± 0.011 Å
c	21.478 ± 0.005 Å
α	90°
β	97.396 ± 0.004°
γ	90°
Cell volume	11038 ± 5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1374
Residual factor for significantly intense reflections	0.1098
Weighted residual factors for significantly intense reflections	0.3368
Weighted residual factors for all reflections included in the refinement	0.3564
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
180189 (current)	2016-03-26	cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/85.	7108544.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7108544.cif
68096	2012-10-17	cif/ Adding structures of 7108543, 7108544, 7108545 via cif-deposit CGI script.	7108544.cif