Crystallography Open Database

Information card for entry 7204916

7204915 << 7204916 >> 7204917

Preview

Coordinates	7204916.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	methyl 6-O-undecanoyl-beta-D-glucopyranoside
Formula	C18 H34 O7
Calculated formula	C17.988 H33.977 O6.998
Title of publication	Crystal structures of glycolipids with odd and even numbered alkyl chains
Authors of publication	Abe, Yutaka; Fujiwara, Masami; Ohbu, Kazuo; Harata, Kazuaki
Journal of publication	Journal of the Chemical Society, Perkin Transactions 2
Year of publication	2000
Journal issue	2
Pages of publication	341
a	7.923 ± 0.001 Å
b	7.437 ± 0.001 Å
c	17.217 ± 0.001 Å
α	90°
β	92.626 ± 0.001°
γ	90°
Cell volume	1013.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.06
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for all reflections	0.1319
Weighted residual factors for significantly intense reflections	0.1259
Goodness-of-fit parameter for all reflections	0.992
Goodness-of-fit parameter for significantly intense reflections	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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