Crystallography Open Database

Information card for entry 4129886

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Coordinates	4129886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H162 N16 O35
Calculated formula	C86 H162 N16 O35
Title of publication	Deciphering the Biosynthetic Origin of L-allo-Isoleucine.
Authors of publication	Li, Qinglian; Qin, Xiangjing; Liu, Jing; Gui, Chun; Wang, Bo; Li, Jie; Ju, Jianhua
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	1
Pages of publication	408 - 415
a	24.9455 ± 0.0002 Å
b	19.28742 ± 0.00018 Å
c	11.27639 ± 0.00009 Å
α	90°
β	90°
γ	90°
Cell volume	5425.46 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0472
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1275
Weighted residual factors for all reflections included in the refinement	0.1293
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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