Crystallography Open Database

Information card for entry 4123264

Preview

Coordinates	4123264.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H41 F Sn
Calculated formula	C35 H41 F Sn
SMILES	[Sn](c1cc2ccccc2c2c1c1c(cc(F)cc1)C2c1ccccc1)(CCCC)(CCCC)CCCC
Title of publication	Traceless Directing Groups in Radical Cascades: From Oligoalkynes to Fused Helicenes without Tethered Initiators.
Authors of publication	Pati, Kamalkishore; Dos Passos Gomes, Gabriel; Harris, Trevor; Hughes, Audrey; Phan, Hoa; Banerjee, Tanmay; Hanson, Kenneth; Alabugin, Igor V.
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	3
Pages of publication	1165 - 1180
a	10.2472 ± 0.0009 Å
b	10.9518 ± 0.001 Å
c	15.1137 ± 0.0013 Å
α	106.828 ± 0.001°
β	97.975 ± 0.001°
γ	110.009 ± 0.001°
Cell volume	1471.2 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0209
Residual factor for significantly intense reflections	0.0202
Weighted residual factors for significantly intense reflections	0.0527
Weighted residual factors for all reflections included in the refinement	0.0532
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
179034 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/32.	4123264.cif
130652	2015-02-04	cif/ Updating files of 4123261, 4123262, 4123263, 4123264 Original log message: Adding full bibliography for 4123261--4123264.cif.	4123264.cif
129843	2015-01-17	cif/ Adding structures of 4123264 via cif-deposit CGI script.	4123264.cif