Crystallography Open Database

Information card for entry 2021738

2021737 << 2021738 >> 2021739

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Structure parameters

Chemical name	2,3,4,6-Tetra-<i>O</i>-acetyl-α-<i>D</i>-mannopyranosyl-(1\ρightarrow2)-\ 3,4,6-tri-<i>O</i>-acetyl-α-<i>D</i>-mannopyranosyl-(1\ρightarrow3)-\ 1,2,4,6-tetra-<i>O</i>-acetyl-α-<i>D</i>-mannopyranose
Formula	C40 H54 O27
Calculated formula	C40 H54 O27
Title of publication	Structural properties of <small>D</small>-mannopyranosyl rings containing <i>O</i>-acetyl side-chains
Authors of publication	Turney, Toby; Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.
Journal of publication	Acta Crystallographica Section C
Year of publication	2019
Journal volume	75
Journal issue	8
Pages of publication	1166 - 1174
a	9.1043 ± 0.0002 Å
b	21.477 ± 0.0005 Å
c	13.8106 ± 0.0003 Å
α	90°
β	91.8362 ± 0.0008°
γ	90°
Cell volume	2699.04 ± 0.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0337
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.0944
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
217307 (current)	2019-07-30	cif/ hkl/ Adding structures of 2021737, 2021738 via cif-deposit CGI script.	2021738.cif 2021738.hkl