Crystallography Open Database

Information card for entry 1565927

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Coordinates	1565927.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H64 Ni O P2
Calculated formula	C45 H64 Ni O P2
Title of publication	A C-to-O atom-swapping reaction sequence enabled by Ni-catalyzed decarbonylation of lactones
Authors of publication	Luu, Quang H.; Li, Junqi
Journal of publication	Chemical Science
Year of publication	2022
Journal volume	13
Journal issue	4
Pages of publication	1095 - 1100
a	9.0475 ± 0.0015 Å
b	18.2763 ± 0.0014 Å
c	12.7484 ± 0.0011 Å
α	90°
β	105.437 ± 0.009°
γ	90°
Cell volume	2032 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0363
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0793
Weighted residual factors for all reflections included in the refinement	0.0801
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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