Crystallography Open Database

Information card for entry 1553148

Preview

Coordinates	1553148.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H34 O10
Calculated formula	C24 H34 O10
SMILES	O1[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OCC=C=CC1CCCCC1)COC(=O)C
Title of publication	A concise construction of carbohydrate-tethered axially chiral allenes via copper catalysis
Authors of publication	Huang, Xin; Xue, Can; Fu, Chunling; Ma, Shengming
Journal of publication	Organic Chemistry Frontiers
Year of publication	2015
Journal volume	2
Journal issue	9
Pages of publication	1040
a	5.8507 ± 0.001 Å
b	14.177 ± 0.002 Å
c	30.834 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2557.5 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.102
Residual factor for significantly intense reflections	0.08
Weighted residual factors for significantly intense reflections	0.2036
Weighted residual factors for all reflections included in the refinement	0.2267
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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