Crystallography Open Database

Information card for entry 7111342

Preview

Coordinates	7111342.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(2a)
Formula	C49 H59 Cl2 N9 O3
Calculated formula	C48.99 H58.98 Cl1.98 N9 O3
Title of publication	A C3-symmetric molecular scaffold for the construction of large receptors
Authors of publication	Haberhauer, Gebhard; Oeser, Thomas; Rominger, Frank
Journal of publication	Chemical Communications
Year of publication	2004
Journal issue	18
Pages of publication	2044 - 2045
a	13.5462 ± 0.0004 Å
b	13.5462 ± 0.0004 Å
c	14.8813 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	2364.87 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.1263
Residual factor for significantly intense reflections	0.1258
Weighted residual factors for significantly intense reflections	0.253
Weighted residual factors for all reflections included in the refinement	0.2532
Goodness-of-fit parameter for all reflections included in the refinement	1.133
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
180227 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/13.	7111342.cif
96441	2014-01-29	cif/ Adding structures of 7111342, 7111343, 7111344 via cif-deposit CGI script.	7111342.cif