Crystallography Open Database

Information card for entry 7132806

Preview

Coordinates	7132806.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H23 N
Calculated formula	C27 H23 N
Title of publication	Pd(II)-catalyzed hydroarylations/hydroalkenylations of terminal alkynes: regioselective synthesis of allylic, homoallylic, and 1,3-diene systems.
Authors of publication	Shinde, Jivan; Suresh, Sundaram; Kavala, Veerababurao; Yao, Ching-Fa
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	28
Pages of publication	3790 - 3793
a	9.4988 ± 0.0002 Å
b	11.9651 ± 0.0003 Å
c	17.3667 ± 0.0004 Å
α	90°
β	97.139 ± 0.001°
γ	90°
Cell volume	1958.49 ± 0.08 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0548
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1273
Weighted residual factors for all reflections included in the refinement	0.1342
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7132806.html