Crystallography Open Database

Information card for entry 7133895

Preview

Coordinates	7133895.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H20
Calculated formula	C34 H20
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	9.8987 ± 0.0007 Å
b	21.3915 ± 0.0015 Å
c	20.2646 ± 0.0015 Å
α	90°
β	96.076 ± 0.003°
γ	90°
Cell volume	4266.9 ± 0.5 Å³
Cell temperature	304 ± 2 K
Ambient diffraction temperature	304 ± 2 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	0.118
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.183
Weighted residual factors for all reflections included in the refinement	0.2582
Goodness-of-fit parameter for all reflections included in the refinement	0.768
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/7133895.html