Crystallography Open Database

Information card for entry 7131733

Preview

Coordinates	7131733.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H17 Br N
Calculated formula	C21 H17 Br N
Title of publication	Hydroarylation of alkynes <i>via</i> dual <i>ortho</i>-C-H functionalization of diaryl amines on a dicopper(I,I) platform.
Authors of publication	Pal, Nilay Kumar; Patra, Moumita; Pandey, Prabhakar K.; Bera, Jitendra K.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	59
Journal issue	52
Pages of publication	8079 - 8082
a	8.0166 ± 0.0004 Å
b	13.4004 ± 0.0006 Å
c	15.2143 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1634.41 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0242
Residual factor for significantly intense reflections	0.0215
Weighted residual factors for significantly intense reflections	0.057
Weighted residual factors for all reflections included in the refinement	0.0583
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
284840 (current)	2023-07-05	cif/ Updating files of 7131731, 7131732, 7131733 Original log message: Adding full bibliography for 7131731--7131733.cif.	7131733.cif
284071	2023-05-31	cif/ Adding structures of 7131731, 7131732, 7131733 via cif-deposit CGI script.	7131733.cif