Crystallography Open Database

Information card for entry 7206278

7206277 << 7206278 >> 7206279

Preview

Coordinates	7206278.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H50 N2 O10
Calculated formula	C37 H50 N2 O10
Title of publication	Dimeric self-association of an isophthalamide macrocycle in solution and the solid state
Authors of publication	Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D.
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	14
Pages of publication	4586
a	8.864 ± 0.013 Å
b	9.554 ± 0.014 Å
c	21.89 ± 0.04 Å
α	82.63 ± 0.04°
β	82.94 ± 0.05°
γ	74.7 ± 0.05°
Cell volume	1766 ± 5 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.1223
Residual factor for significantly intense reflections	0.107
Weighted residual factors for all reflections	0.301
Weighted residual factors for significantly intense reflections	0.2861
Weighted residual factors for all reflections included in the refinement	0.301
Goodness-of-fit parameter for all reflections included in the refinement	1.0092
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180393 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/62.	7206278.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206278.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206278.cif
23588	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7206275, 7206276, 7206277, 7206278, 7206279, 7206280, 7206281, 7206282 via cif-deposit CGI script.	7206278.cif