Crystallography Open Database

Information card for entry 4119178

4119177 << 4119178 >> 4119179

Preview

Coordinates	4119178.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C291 H272 Cl45 N24
Calculated formula	C291 H272 Cl45 N24
Title of publication	Molecular Marriage through Partner Preferences in Covalent Cage Formation and Cage-to-Cage Transformation
Authors of publication	Koushik Acharyya; Sandip Mukherjee; Partha Sarathi Mukherjee
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	554 - 557
a	17.939 ± 0.004 Å
b	20.419 ± 0.004 Å
c	21.475 ± 0.004 Å
α	65.46 ± 0.03°
β	81.08 ± 0.03°
γ	79.92 ± 0.03°
Cell volume	7015 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.1731
Residual factor for significantly intense reflections	0.1434
Weighted residual factors for significantly intense reflections	0.4104
Weighted residual factors for all reflections included in the refinement	0.4349
Goodness-of-fit parameter for all reflections included in the refinement	1.755
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
178962 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/91.	4119178.cif
103248	2014-02-27	cif/ Adding structures of 4119178 via cif-deposit CGI script.	4119178.cif