Crystallography Open Database

Information card for entry 1503479

Preview

Coordinates	1503479.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H32 N2 O2
Calculated formula	C46 H32 N2 O2
SMILES	Oc1ccc2c(c1c1c3c(ccc1O)CCc1c(c4c(nc31)cccc4)c1ccccc1)c1nc3c(c(c4ccccc4)c1CC2)cccc3
Title of publication	Efficient dibenzo[c]acridine helicene-like synthesis and resolution: scaleup, structural control, and high chiroptical properties.
Authors of publication	Jierry, Loïc; Harthong, Steven; Aronica, Christophe; Mulatier, Jean-Christophe; Guy, Laure; Guy, Stéphan
Journal of publication	Organic letters
Year of publication	2012
Journal volume	14
Journal issue	1
Pages of publication	288 - 291
a	15.359 ± 0.005 Å
b	23.994 ± 0.005 Å
c	10.421 ± 0.005 Å
α	90°
β	93.476 ± 0.005°
γ	90°
Cell volume	3833 ± 2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
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	0.144
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for all reflections	0.1504
Weighted residual factors for significantly intense reflections	0.0741
Weighted residual factors for all reflections included in the refinement	0.0741
Goodness-of-fit parameter for all reflections included in the refinement	1.1294
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	1503479.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503479.cif
37861	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 1503479 via cif-deposit CGI script.	1503479.cif