Crystallography Open Database

Information card for entry 4031758

Preview

Coordinates	4031758.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H28 O8
Calculated formula	C29 H28 O8
Title of publication	NHC-Ag(I)-Catalyzed Three-Component 1,3-Dipolar Cycloaddition To Provide Polysubstituted Dihydro-/Tetrahydrofurans.
Authors of publication	Liu, Yi-Fei; Wang, Zhen; Shi, Jin-Wei; Chen, Bai-Ling; Zhao, Zhi-Gang; Chen, Zili
Journal of publication	The Journal of organic chemistry
Year of publication	2015
Journal volume	80
Journal issue	24
Pages of publication	12733 - 12739
a	9.2194 ± 0.0018 Å
b	28.551 ± 0.006 Å
c	11.042 ± 0.002 Å
α	90°
β	111.54 ± 0.03°
γ	90°
Cell volume	2703.5 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.106
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for significantly intense reflections	0.1593
Weighted residual factors for all reflections included in the refinement	0.1854
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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