Crystallography Open Database

Information card for entry 1515502

Preview

Coordinates	1515502.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H36 F6 N2 O2
Calculated formula	C41 H36 F6 N2 O2
SMILES	CCCN1c2cccc3c2C(c2c1cccc2OC)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(N3c2c(C)cc(cc2C)C)cccc1OC
Title of publication	Highly selective additions of hydride and organolithium nucleophiles to helical carbenium ions
Authors of publication	Guin, Joyram; Besnard, Céline; Pattison, Philip; Lacour, Jérôme
Journal of publication	Chemical Science
Year of publication	2011
Journal volume	2
Journal issue	3
Pages of publication	425
a	8.641 ± 0.002 Å
b	12.453 ± 0.003 Å
c	16.039 ± 0.003 Å
α	91.073 ± 0.004°
β	92.167 ± 0.01°
γ	100.384 ± 0.011°
Cell volume	1695.8 ± 0.7 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0486
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for all reflections	0.08
Weighted residual factors for significantly intense reflections	0.0785
Weighted residual factors for all reflections included in the refinement	0.08
Goodness-of-fit parameter for all reflections included in the refinement	1.1087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515502.cif
111841	2014-04-28	cif/ Adding structures of 1515501, 1515502 via cif-deposit CGI script.	1515502.cif