Crystallography Open Database

Information card for entry 7239985

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Coordinates	7239985.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	TR205
Formula	C14 H13 N O5
Calculated formula	C14 H13 N O5
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	7.1964 ± 0.0001 Å
b	11.9878 ± 0.0003 Å
c	14.751 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1272.55 ± 0.04 Å³
Cell temperature	107 ± 5 K
Ambient diffraction temperature	107 ± 5 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.029
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0719
Weighted residual factors for all reflections included in the refinement	0.0728
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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

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