Crystallography Open Database

Information card for entry 7122038

7122037 << 7122038 >> 7122039

Preview

Coordinates	7122038.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H42 Cl Cu N6
Calculated formula	C30 H42 Cl Cu N6
Title of publication	A new water soluble copper N-heterocyclic carbene complex delivers mild O<sup>6</sup>G-selective RNA alkylation.
Authors of publication	Rasale, Dnyaneshwar; Patil, Kiran; Sauter, Basilius; Geigle, Stefanie; Zhanybekova, Saule; Gillingham, Dennis
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	66
Pages of publication	9174 - 9177
a	16.6483 ± 0.0005 Å
b	10.5534 ± 0.0004 Å
c	18.3838 ± 0.0006 Å
α	90°
β	97.541 ± 0.002°
γ	90°
Cell volume	3202.03 ± 0.19 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1541
Residual factor for significantly intense reflections	0.0716
Weighted residual factors for all reflections	0.189
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.0936
Goodness-of-fit parameter for all reflections included in the refinement	0.9887
Diffraction radiation wavelength	1.34143 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
228336 (current)	2019-11-17	cif/ Updating files of 7122038 Original log message: Adding full bibliography for 7122038.cif.	7122038.cif
209244	2018-07-25	cif/ Adding structures of 7122038 via cif-deposit CGI script.	7122038.cif