Crystallography Open Database

Information card for entry 1508504

Preview

Coordinates	1508504.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H52 N6 O9 S Sr
Calculated formula	C38 H49 N6 O9 S Sr
Title of publication	Specific cooperative effect of a macrocyclic receptor for metal ion transfer into an ionic liquid.
Authors of publication	Okamura, Hiroyuki; Ikeda-Ohno, Atsushi; Saito, Takumi; Aoyagi, Noboru; Naganawa, Hirochika; Hirayama, Naoki; Umetani, Shigeo; Imura, Hisanori; Shimojo, Kojiro
Journal of publication	Analytical chemistry
Year of publication	2012
Journal volume	84
Journal issue	21
Pages of publication	9332 - 9339
a	12.579 ± 0.003 Å
b	14.599 ± 0.003 Å
c	22.498 ± 0.005 Å
α	90°
β	90.264 ± 0.004°
γ	90°
Cell volume	4131.5 ± 1.6 Å³
Cell temperature	293.1 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.1018
Weighted residual factors for all reflections included in the refinement	0.274
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1508504.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1508504.cif
71424	2013-01-19	cif/ Correcting misattributed bibliographies in the CIFs deposited yesterday by me.	1508504.cif
71383	2013-01-18	cif/ Adding structures of 1508504 via cif-deposit CGI script.	1508504.cif