Crystallography Open Database

Information card for entry 4110296

Preview

Coordinates	4110296.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H36 F2 N O14.5
Calculated formula	C25 H35 F2 N O14.5
Title of publication	Stereocontrolled and Convergent Entry to CF2-Sialosides: Synthesis of CF2-Linked Ganglioside GM4
Authors of publication	Go Hirai; Toru Watanabe; Kazunori Yamaguchi; Taeko Miyagi; Mikiko Sodeoka
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	15420 - 15421
a	6.0975 ± 0.0002 Å
b	8.3422 ± 0.0002 Å
c	28.8836 ± 0.001 Å
α	90°
β	95.5451 ± 0.0012°
γ	90°
Cell volume	1462.33 ± 0.08 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0394
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0795
Weighted residual factors for all reflections included in the refinement	0.0835
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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