Crystallography Open Database

Information card for entry 1547720

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Coordinates	1547720.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C115 H115 N13 O29 Zn4
Calculated formula	C115 H108 N13 O29 Zn4
Title of publication	Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization
Authors of publication	Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan
Journal of publication	Nature Communications
Year of publication	2017
Journal volume	8
Pages of publication	361
a	25.9658 ± 0.0015 Å
b	9.0558 ± 0.0005 Å
c	27.369 ± 0.0015 Å
α	90°
β	117.686 ± 0.0009°
γ	90°
Cell volume	5698.7 ± 0.6 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0627
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.2017
Weighted residual factors for all reflections included in the refinement	0.2161
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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