Crystallography Open Database

Information card for entry 7102958

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Coordinates	7102958.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H110 Ni2 O3 P2
Calculated formula	C67 H90 Ni2 O3 P2
Title of publication	Nickeladihydrofuran. Key intermediate for nickel-catalyzed reaction of alkyne and aldehyde.
Authors of publication	Ogoshi, Sensuke; Arai, Tomoya; Ohashi, Masato; Kurosawa, Hideo
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2008
Journal issue	11
Pages of publication	1347 - 1349
a	49.179 ± 0.003 Å
b	13.9696 ± 0.0008 Å
c	20.1131 ± 0.0011 Å
α	90°
β	110.238 ± 0.0015°
γ	90°
Cell volume	12964.8 ± 1.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.0898
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1472
Weighted residual factors for all reflections included in the refinement	0.1712
Goodness-of-fit parameter for all reflections included in the refinement	0.954
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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