Crystallography Open Database

Information card for entry 4026310

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Coordinates	4026310.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H44 O22
Calculated formula	C29 H44 O22
Title of publication	Synthesis of Oligomeric 4-(Glycosyloxy)benzoate Macrocyclic Glycosides
Authors of publication	Yali Li; Jiansong Sun; Yanqing Gong; Biao Yu
Journal of publication	Journal of Organic Chemistry
Year of publication	2011
Journal volume	76
Pages of publication	3654 - 3663
a	7.7506 ± 0.001 Å
b	14.8393 ± 0.0019 Å
c	14.9278 ± 0.0019 Å
α	90°
β	92.947 ± 0.002°
γ	90°
Cell volume	1714.6 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0648
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1254
Weighted residual factors for all reflections included in the refinement	0.1364
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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