Crystallography Open Database

Information card for entry 4132380

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Coordinates	4132380.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H33 N2 P
Calculated formula	C22 H33 N2 P
SMILES	c1cc2c(c(cc(c2)C)CCCCC#N)n1P(C(C)(C)C)C(C)(C)C
Title of publication	Rhodium-Catalyzed, Remote Terminal Hydroarylation of Activated Olefins through a Long-Range Deconjugative Isomerization.
Authors of publication	Borah, Arun Jyoti; Shi, Zhuangzhi
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	19
Pages of publication	6062 - 6066
a	22.0032 ± 0.0015 Å
b	8.3103 ± 0.0005 Å
c	22.7142 ± 0.0014 Å
α	90°
β	90.349 ± 0.003°
γ	90°
Cell volume	4153.3 ± 0.5 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
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	0.0512
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.1069
Weighted residual factors for all reflections included in the refinement	0.1122
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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