Crystallography Open Database

Information card for entry 7239984

Preview

Coordinates	7239984.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H11 N O2
Calculated formula	C10 H11 N O2
Title of publication	Haber-independent, diversity-oriented synthesis of nitrogen compounds from biorenewable chitin
Authors of publication	Pham, Thuy Trang; Chen, Xi; Söhnel, Tilo; Yan, Ning; Sperry, Jonathan
Journal of publication	Green Chemistry
Year of publication	2020
Journal volume	22
Journal issue	6
Pages of publication	1978 - 1984
a	7.1931 ± 0.0003 Å
b	7.0581 ± 0.0004 Å
c	8.4454 ± 0.0004 Å
α	90°
β	92.515 ± 0.004°
γ	90°
Cell volume	428.36 ± 0.04 Å³
Cell temperature	107 ± 4 K
Ambient diffraction temperature	107 ± 4 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0387
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0907
Weighted residual factors for all reflections included in the refinement	0.0936
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7239984.html