Crystallography Open Database

Information card for entry 4107874

Preview

Coordinates	4107874.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H31 B F2 N2 S4
Calculated formula	C33 H31 B F2 N2 S4
Title of publication	A Donor-Acceptor Molecular Dyad Showing Multiple Electronic Energy-Transfer Processes in Crystalline and Amorphous States
Authors of publication	Andrew C. Benniston; Graeme Copley; Anthony Harriman; Dorota B. Rewinska; Ross W. Harrington; William Clegg
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	7174 - 7175
a	11.241 ± 0.013 Å
b	13.471 ± 0.015 Å
c	21.93 ± 0.02 Å
α	88.995 ± 0.012°
β	88.021 ± 0.012°
γ	81.839 ± 0.011°
Cell volume	3285 ± 6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1862
Residual factor for significantly intense reflections	0.1023
Weighted residual factors for significantly intense reflections	0.2652
Weighted residual factors for all reflections included in the refinement	0.3088
Goodness-of-fit parameter for all reflections included in the refinement	0.947
Diffraction radiation wavelength	0.7977 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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