Crystallography Open Database

Information card for entry 7133421

Preview

Coordinates	7133421.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H18 Br N O
Calculated formula	C27 H18 Br N O
Title of publication	Construction of central and axial chirality <i>via</i> Pd(II)/Bim-catalyzed asymmetric dearomative Michael reaction of polycyclic tropones.
Authors of publication	Liu, Zi-Li; Wang, Yu-Xin; Yang, Zi-Qi; Yang, Yu-Heng; Liu, Yin-Ping; Hao, Wen-Juan; Jiang, Bo
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	67
Pages of publication	8908 - 8911
a	8.151 ± 0.006 Å
b	12.057 ± 0.009 Å
c	19.765 ± 0.015 Å
α	90°
β	90°
γ	90°
Cell volume	1942 ± 3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0671
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.0879
Weighted residual factors for all reflections included in the refinement	0.0934
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
294457 (current)	2024-09-06	cif/ Updating files of 7133421 Original log message: Adding full bibliography for 7133421.cif.	7133421.cif
293567	2024-07-28	cif/ Adding structures of 7133421 via cif-deposit CGI script.	7133421.cif