Crystallography Open Database

Information card for entry 7156299

Preview

Coordinates	7156299.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(5aS,5bS)-5a,5b-diphenyltetradecahydrocyclobuta[1,2:3,4]di[7]annulene
Formula	C26 H32
Calculated formula	C26 H32
Title of publication	An elusive thermal [2 + 2] cycloaddition driven by visible light photocatalysis: tapping into strain to access C2-symmetric tricyclic rings.
Authors of publication	Singh, Kamaljeet; Trinh, Winston; Latifi, Reza; Weaver, Jimmie D.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	7
Pages of publication	1854 - 1861
a	14.3431 ± 0.0018 Å
b	9.3243 ± 0.0012 Å
c	15.4742 ± 0.0019 Å
α	90°
β	111.719 ± 0.002°
γ	90°
Cell volume	1922.6 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	2
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0778
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.0975
Weighted residual factors for all reflections included in the refinement	0.1116
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
225204 (current)	2019-11-08	cif/ Updating files of 7156298, 7156299, 7156300 Original log message: Adding full bibliography for 7156298--7156300.cif.	7156299.cif
208621	2018-06-25	cif/ Adding structures of 7156298, 7156299, 7156300 via cif-deposit CGI script.	7156299.cif