Crystallography Open Database

Information card for entry 4507429

Preview

Coordinates	4507429.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H30 N2 O2
Calculated formula	C32 H30 N2 O2
SMILES	n1(c(c(c2C(=O)CC(Cc12)(C)C)c1[nH]c2c(c1)cc(OC)cc2)c1ccccc1)c1ccc(cc1)C
Title of publication	Three-Component Domino Reactions for Regioselective Formation of Bis-indole Derivatives.
Authors of publication	Fu, Li-Ping; Shi, Qing-Qing; Shi, Yu; Jiang, Bo; Tu, Shu-Jiang
Journal of publication	ACS combinatorial science
Year of publication	2013
Journal volume	15
Journal issue	2
Pages of publication	135 - 140
a	28.65 ± 0.002 Å
b	10.0714 ± 0.0012 Å
c	19.8284 ± 0.0017 Å
α	90°
β	114.854 ± 0.002°
γ	90°
Cell volume	5191.5 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.1218
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.0647
Weighted residual factors for all reflections included in the refinement	0.074
Goodness-of-fit parameter for all reflections included in the refinement	0.987
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
179610 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/74.	4507429.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507429.cif
73971	2013-02-21	cif/ Adding structures of 4507429 via cif-deposit CGI script.	4507429.cif