Crystallography Open Database

Information card for entry 4109713

Preview

Coordinates	4109713.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H47 F6 N O8 P
Calculated formula	C32 H47 F6 N O8 P
Title of publication	Bifunctional [c2]Daisy-Chains and Their Incorporation into Mechanically Interlocked Polymers
Authors of publication	Erin N. Guidry; Jean Li; J. Fraser Stoddart; Robert H. Grubbs
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	8944 - 8945
a	14.0429 ± 0.0005 Å
b	18.2532 ± 0.0006 Å
c	29.4389 ± 0.0009 Å
α	88.593 ± 0.001°
β	79.918 ± 0.001°
γ	72.778 ± 0.001°
Cell volume	7093.4 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.181
Residual factor for significantly intense reflections	0.1327
Weighted residual factors for significantly intense reflections	0.3472
Weighted residual factors for all reflections included in the refinement	0.376
Goodness-of-fit parameter for all reflections included in the refinement	2.495
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
211332 (current)	2018-10-05	cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter.	4109713.cif
178843	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/97.	4109713.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109713.cif
58490	2012-05-28	cif/ Adding structures of 4109713 via cif-deposit CGI script.	4109713.cif