Crystallography Open Database

Information card for entry 7207920

7207919 << 7207920 >> 7207921

Preview

Coordinates	7207920.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H38 B O4 S4
Calculated formula	C38 H38 B O4 S4
Title of publication	Sulfur and selenium substituted spiro-biphenalenyl-boron neutral radicals
Authors of publication	Sarkar, Arindam; Pal, Sushanta K.; Itkis, Mikhail E.; Tham, Fook S.; Haddon, Robert C.
Journal of publication	Journal of Materials Chemistry
Year of publication	2012
Journal volume	22
Journal issue	17
Pages of publication	8245
a	9.3401 ± 0.0002 Å
b	22.0917 ± 0.0006 Å
c	16.6081 ± 0.0004 Å
α	90°
β	92.7623 ± 0.0004°
γ	90°
Cell volume	3422.91 ± 0.14 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0524
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.1097
Weighted residual factors for all reflections included in the refinement	0.1214
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	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7207920.html