Crystallography Open Database

Information card for entry 7239831

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Coordinates	7239831.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H23 N3 O6
Calculated formula	C16 H23 N3 O6
Title of publication	Improved synthesis and application of conjugation-amenable polyols from d-mannose
Authors of publication	Mattsson, Ida; Sitdikov, Ruzal; Gunell, Andreas C. M.; Lahtinen, Manu; Saloranta-Simell, Tiina; Leino, Reko
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	7
Pages of publication	3960 - 3966
a	4.7849 ± 0.0005 Å
b	5.3125 ± 0.0005 Å
c	17.3017 ± 0.0015 Å
α	83.212 ± 0.008°
β	87.407 ± 0.007°
γ	85.031 ± 0.008°
Cell volume	434.81 ± 0.07 Å³
Cell temperature	120.01 ± 0.1 K
Ambient diffraction temperature	120.01 ± 0.1 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0437
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.0922
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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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