Crystallography Open Database

Information card for entry 1507174

Preview

Coordinates	1507174.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H24 O12
Calculated formula	C42 H24 O12
Title of publication	per-Hydroxylated Pillar[6]arene: Synthesis, X-ray Crystal Structure, and Host-Guest Complexation.
Authors of publication	Ma, Yingjie; Chi, Xiaodong; Yan, Xuzhou; Liu, Jiyong; Yao, Yong; Chen, Weixiang; Huang, Feihe; Hou, Jun-Li
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	6
Pages of publication	1532 - 1535
a	13.5604 ± 0.0005 Å
b	13.5604 ± 0.0005 Å
c	9.2104 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	1466.74 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	175
Hermann-Mauguin space group symbol	P 6/m
Hall space group symbol	-P 6
Residual factor for all reflections	0.1161
Residual factor for significantly intense reflections	0.1084
Weighted residual factors for significantly intense reflections	0.3783
Weighted residual factors for all reflections included in the refinement	0.3902
Goodness-of-fit parameter for all reflections included in the refinement	1.806
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1507174.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1507174.cif
51906	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1507174, 1507175 via cif-deposit CGI script.	1507174.cif