Crystallography Open Database

Information card for entry 7157107

Preview

Coordinates	7157107.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H46 B2 O4 Se2 Si2
Calculated formula	C26 H46 B2 O4 Se2 Si2
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	44.64 ± 0.002 Å
b	6.5823 ± 0.0003 Å
c	11.7225 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3444.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0727
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1193
Weighted residual factors for all reflections included in the refinement	0.1271
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation probe	x-ray
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.	7157107.cif
218851	2019-09-25	cif/ Adding structures of 7157107, 7157108, 7157109 via cif-deposit CGI script.	7157107.cif