Crystallography Open Database

Information card for entry 7125306

Preview

Coordinates	7125306.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H19 N O
Calculated formula	C28 H19 N O
Title of publication	Synthesis of axially chiral heterobiaryl alkynes via dynamic kinetic asymmetric alkynylation.
Authors of publication	Hornillos, Valentín; Ros, Abel; Ramírez-López, Pedro; Iglesias-Sigüenza, Javier; Fernández, Rosario; Lassaletta, José M
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	98
Pages of publication	14121 - 14124
a	13.0425 ± 0.0003 Å
b	10.2377 ± 0.0003 Å
c	16.1011 ± 0.0004 Å
α	90°
β	109.601 ± 0.001°
γ	90°
Cell volume	2025.32 ± 0.09 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0322
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.1021
Weighted residual factors for all reflections included in the refinement	0.1025
Goodness-of-fit parameter for all reflections included in the refinement	0.98
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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