Crystallography Open Database

Information card for entry 7156654

Preview

Coordinates	7156654.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H41 Cl3 N P
Calculated formula	C42 H41 Cl3 N P
Title of publication	Synthesis and application of P,olefin type axially chiral ligands with sec-alkyl groups.
Authors of publication	Mino, Takashi; Yamaguchi, Daiki; Masuda, Chihiro; Youda, Junpei; Ebisawa, Toshibumi; Yoshida, Yasushi; Sakamoto, Masami
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	6
Pages of publication	1455 - 1465
a	10.1412 ± 0.0001 Å
b	17.5089 ± 0.0002 Å
c	19.7319 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3503.62 ± 0.08 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.0392
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.1006
Weighted residual factors for all reflections included in the refinement	0.1009
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	1.54178 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
225147 (current)	2019-11-08	cif/ Updating files of 7156653, 7156654 Original log message: Adding full bibliography for 7156653--7156654.cif.	7156654.cif
213195	2019-01-18	cif/ Adding structures of 7156653, 7156654 via cif-deposit CGI script.	7156654.cif