Crystallography Open Database

Information card for entry 7239986

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Coordinates	7239986.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H84 N4 O24
Calculated formula	C60 H84 N4 O24
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	24.7484 ± 0.0003 Å
b	10.706 ± 0.0001 Å
c	26.2577 ± 0.0003 Å
α	90°
β	115.723 ± 0.001°
γ	90°
Cell volume	6267.71 ± 0.13 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	4
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	0.0489
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.112
Weighted residual factors for all reflections included in the refinement	0.1162
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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