Crystallography Open Database

Information card for entry 4031969

4031968 << 4031969 >> 4031970

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Coordinates	4031969.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H32 N4 O15
Calculated formula	C44 H32 N4 O15
Title of publication	Coupling and Decoupling Approach Enables Palladium-Catalyzed Aerobic Bimolecular Carbocyclizations of Enediynes to 2,6-Diacylnaphthalenes.
Authors of publication	Ling, Fei; Wan, Yanjun; Wang, Dongxu; Ma, Cheng
Journal of publication	The Journal of organic chemistry
Year of publication	2016
Journal volume	81
Journal issue	7
Pages of publication	2770 - 2781
a	11.3311 ± 0.0008 Å
b	19.2315 ± 0.0011 Å
c	10.608 ± 0.0007 Å
α	90°
β	92.046 ± 0.006°
γ	90°
Cell volume	2310.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	4
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	0.1051
Residual factor for significantly intense reflections	0.0755
Weighted residual factors for significantly intense reflections	0.235
Weighted residual factors for all reflections included in the refinement	0.2661
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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