Crystallography Open Database

Information card for entry 7118196

Preview

Coordinates	7118196.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H100 N4 O10 Pd Si
Calculated formula	C77 H100 N4 O10 Pd Si
SMILES	[Pd]12([n]3c(cc(cc3C(=O)N2Cc2ccc(cc2)OCCCCC=C)CO)C(=O)N1Cc1ccc(cc1)OCCCCC=C)[n]1c2cc(cc1COCc1ccc(cc1)OCCCCCCCCCCOc1ccc(COC2)cc1)OCC#C[Si](C(C)C)(C(C)C)C(C)C
Title of publication	Catenane-based mechanically-linked block copolymers.
Authors of publication	Nisar Ahamed, B.; Duchêne, Roland; Robeyns, Koen; Fustin, Charles-André
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	10
Pages of publication	2149 - 2152
a	24.3213 ± 0.0016 Å
b	10.002 ± 0.0005 Å
c	32.0407 ± 0.0018 Å
α	90°
β	111.912 ± 0.007°
γ	90°
Cell volume	7231.2 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1373
Residual factor for significantly intense reflections	0.096
Weighted residual factors for significantly intense reflections	0.2177
Weighted residual factors for all reflections included in the refinement	0.2456
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
175862 (current)	2016-02-04	cif/ Updating files of 7118196, 7118197, 7118198 Original log message: Adding full bibliography for 7118196--7118198.cif.	7118196.cif
171851	2016-01-01	cif/ Adding structures of 7118196, 7118197, 7118198 via cif-deposit CGI script.	7118196.cif