Crystallography Open Database

Information card for entry 7116383

Preview

Coordinates	7116383.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H27 N O3 S
Calculated formula	C34 H27 N O3 S
SMILES	S(=O)(=O)(n1c2C(C(=C(c2c2ccccc12)C)C(=O)/C=C/c1ccccc1)c1ccccc1)c1ccc(C)cc1
Title of publication	Synthesis of polysubstituted cyclopenta[b]indoles via relay gold(I)/Bronsted acid catalysis
Authors of publication	Seema Dhiman; S. S. V. Ramasastry
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	557
a	6.1013 ± 0.0008 Å
b	15.039 ± 0.002 Å
c	23.894 ± 0.003 Å
α	90°
β	90.877 ± 0.008°
γ	90°
Cell volume	2192.2 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.108
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.1539
Weighted residual factors for all reflections included in the refinement	0.181
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
180277 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/63.	7116383.cif
129621	2015-01-14	cif/ Adding structures of 7116383 via cif-deposit CGI script.	7116383.cif