Crystallography Open Database

Information card for entry 7133899

Preview

Coordinates	7133899.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H24
Calculated formula	C36 H24
Title of publication	Serendipitous synthesis of phenanthrene derivatives by exploiting electrocyclization during thermolysis of Diels-Alder intermediate dihydrodibenzothiophene-<i>S</i>,<i>S</i>-dioxides.
Authors of publication	Bharathi, Kabali Divya; Mohanakrishnan, Arasambattu K.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	92
Pages of publication	13590 - 13593
a	11.434 ± 0.008 Å
b	22.093 ± 0.018 Å
c	9.934 ± 0.009 Å
α	90°
β	96.97 ± 0.03°
γ	90°
Cell volume	2491 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	2
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1736
Weighted residual factors for all reflections included in the refinement	0.2211
Goodness-of-fit parameter for all reflections included in the refinement	0.907
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7133899.html