Crystallography Open Database

Information card for entry 4132502

Preview

Coordinates	4132502.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H37 Cl2 Cu N11 O4
Calculated formula	C31 H37 Cl2 Cu N11 O4
Title of publication	Receptor-Based Artificial Metalloenzymes on Living Human Cells.
Authors of publication	Ghattas, Wadih; Dubosclard, Virginie; Wick, Arne; Bendelac, Audrey; Guillot, Régis; Ricoux, Rémy; Mahy, Jean-Pierre
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	28
Pages of publication	8756 - 8762
a	8.4233 ± 0.0013 Å
b	13.0818 ± 0.0017 Å
c	16.344 ± 0.003 Å
α	71.392 ± 0.004°
β	89.569 ± 0.005°
γ	77.201 ± 0.004°
Cell volume	1660.5 ± 0.5 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 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	0.3697
Residual factor for significantly intense reflections	0.0949
Weighted residual factors for significantly intense reflections	0.123
Weighted residual factors for all reflections included in the refinement	0.1662
Goodness-of-fit parameter for all reflections included in the refinement	0.926
Diffraction radiation probe	x-ray
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
242476 (current)	2019-11-26	cif/ Adding structures of 4132502 via cif-deposit CGI script.	4132502.cif