Crystallography Open Database

Information card for entry 7157930

Preview

Coordinates	7157930.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	tk287
Formula	C18 H19 N9 O2
Calculated formula	C18 H19 N9 O2
Title of publication	Oxidative azidations of phenols and ketones using iodine azide after release from an ion exchange resin.
Authors of publication	Kösel, Teresa; Dräger, Gerald; Kirschning, Andreas
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	13
Pages of publication	2907 - 2911
a	6.7974 ± 0.0012 Å
b	13.92 ± 0.002 Å
c	9.9497 ± 0.0018 Å
α	90°
β	91.655 ± 0.006°
γ	90°
Cell volume	941 ± 0.3 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.073
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1241
Weighted residual factors for all reflections included in the refinement	0.1413
Goodness-of-fit parameter for all reflections included in the refinement	0.866
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
264947 (current)	2021-05-05	cif/ Updating files of 7157930 Original log message: Adding full bibliography for 7157930.cif.	7157930.cif
262959	2021-03-10	cif/ Adding structures of 7157930 via cif-deposit CGI script.	7157930.cif