Crystallography Open Database

Information card for entry 1517075

Preview

Coordinates	1517075.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H31 N O8
Calculated formula	C32 H31 N O8
SMILES	O=C(OC)C([C@@H]1C(C(=O)OC)(C(=O)OC)C[C@@H](c2c1n(c1c2cccc1)C)c1ccc2c(c1)cccc2)C(=O)OC.O=C(OC)C([C@H]1C(C(=O)OC)(C(=O)OC)C[C@H](c2c1n(c1c2cccc1)C)c1ccc2c(c1)cccc2)C(=O)OC
Title of publication	Diastereoselective Synthesis of Functionalized Tetrahydrocarbazoles via a Domino-Ring Opening-Cyclization of Donor-Acceptor Cyclopropanes with Substituted 2-Vinylindoles.
Authors of publication	Talukdar, Ranadeep; Tiwari, Deo Prakash; Saha, Amrita; Ghorai, Manas K.
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	15
Pages of publication	3954 - 3957
a	15.2 ± 0.005 Å
b	9.19 ± 0.005 Å
c	21.788 ± 0.005 Å
α	90°
β	108.912 ± 0.005°
γ	90°
Cell volume	2879.2 ± 1.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0974
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1202
Weighted residual factors for all reflections included in the refinement	0.1471
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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.	1517075.cif
121355	2014-08-05	cif/ Updating files of 1517075, 1517076 Original log message: Adding full bibliography for 1517075--1517076.cif.	1517075.cif
119997	2014-07-11	cif/ Adding structures of 1517075 via cif-deposit CGI script.	1517075.cif