Crystallography Open Database

Information card for entry 1517076

Preview

Coordinates	1517076.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H26 N2 O7
Calculated formula	C25 H26 N2 O7
SMILES	O(C(=O)C1(C[C@H](c2c(n(c3ccccc23)C)[C@H]1CN(=O)=O)c1ccc(OC)cc1)C(=O)OC)C.O(C(=O)C1(C[C@@H](c2c(n(c3ccccc23)C)[C@@H]1CN(=O)=O)c1ccc(OC)cc1)C(=O)OC)C
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	8.398 ± 0.005 Å
b	23.088 ± 0.005 Å
c	12.083 ± 0.005 Å
α	90 ± 0.005°
β	107.75 ± 0.005°
γ	90 ± 0.005°
Cell volume	2231.3 ± 1.7 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0807
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.0892
Weighted residual factors for all reflections included in the refinement	0.1024
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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.	1517076.cif
121355	2014-08-05	cif/ Updating files of 1517075, 1517076 Original log message: Adding full bibliography for 1517075--1517076.cif.	1517076.cif
119998	2014-07-11	cif/ Adding structures of 1517076 via cif-deposit CGI script.	1517076.cif