Crystallography Open Database

Information card for entry 4132603

Preview

Coordinates	4132603.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H38 N2 O6
Calculated formula	C38 H38 N2 O6
SMILES	c1ccc2c(C3(c4ccccc4C2C2(c4c(C3c3ccccc23)cccc4)C(=O)O)C(=O)O)c1.C(=O)(C)N(C)C.C(=O)(C)N(C)C
Title of publication	On-Demand Degradation of Metal-Organic Framework Based on Photocleavable Dianthracene-Based Ligand.
Authors of publication	Collet, Guillaume; Lathion, Timothée; Besnard, Céline; Piguet, Claude; Petoud, Stéphane
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	34
Pages of publication	10820 - 10828
a	10.6198 ± 0.0003 Å
b	12.0108 ± 0.0003 Å
c	12.5761 ± 0.0003 Å
α	90°
β	96.716 ± 0.002°
γ	90°
Cell volume	1593.1 ± 0.07 Å³
Cell temperature	180.01 ± 0.1 K
Ambient diffraction temperature	180.01 ± 0.1 K
Number of distinct elements	4
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	0.0507
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.1004
Weighted residual factors for all reflections included in the refinement	0.1082
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
242550 (current)	2019-11-26	cif/ Adding structures of 4132603 via cif-deposit CGI script.	4132603.cif