Crystallography Open Database

Information card for entry 7157108

Preview

Coordinates	7157108.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(Rp,Rp)-1
Formula	C49 H37 Cl3 Se4
Calculated formula	C49 H37 Cl3 Se4
Title of publication	Synthesis and chiroptical properties of stereogenic cyclic dimers based on 2,2'-biselenophene and [2.2]paracyclophane.
Authors of publication	Hasegawa, Masashi; Kobayakawa, Kosuke; Nojima, Yuki; Mazaki, Yasuhiro
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	39
Pages of publication	8822 - 8826
a	9.6143 ± 0.0009 Å
b	16.0071 ± 0.0015 Å
c	13.8424 ± 0.0013 Å
α	90°
β	94.363 ± 0.001°
γ	90°
Cell volume	2124.1 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 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	0.0393
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.0835
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
225115 (current)	2019-11-08	cif/ Updating files of 7157107, 7157108, 7157109 Original log message: Adding full bibliography for 7157107--7157109.cif.	7157108.cif
218851	2019-09-25	cif/ Adding structures of 7157107, 7157108, 7157109 via cif-deposit CGI script.	7157108.cif