Crystallography Open Database

Information card for entry 1517670

Preview

Coordinates	1517670.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H26 N2 O4
Calculated formula	C25 H26 N2 O4
SMILES	C1(=O)[C@](c2ccccc2N1C)(C)C(=O)C(C(=O)[C@@]1(C(=O)N(c2c1cccc2)C)C)(C)C
Title of publication	Copper-Mediated Construction of Spirocyclic Bis-oxindoles via a Double C-H, Ar-H Coupling Process.
Authors of publication	Drouhin, Pauline; Hurst, Timothy E.; Whitwood, Adrian C.; Taylor, Richard J. K.
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	18
Pages of publication	4900 - 4903
a	8.8304 ± 0.0004 Å
b	9.0124 ± 0.0003 Å
c	14.1564 ± 0.0004 Å
α	102.491 ± 0.003°
β	92.693 ± 0.003°
γ	106.893 ± 0.004°
Cell volume	1045.18 ± 0.07 Å³
Cell temperature	110.05 ± 0.1 K
Ambient diffraction temperature	110.05 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.052
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.109
Weighted residual factors for all reflections included in the refinement	0.1149
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7107 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.	1517670.cif
124886	2014-10-06	cif/ Updating files of 1517665, 1517666, 1517667, 1517668, 1517669, 1517670 Original log message: Adding full bibliography for 1517665--1517670.cif.	1517670.cif
123650	2014-09-10	cif/ Adding structures of 1517665, 1517666, 1517667, 1517668, 1517669, 1517670 via cif-deposit CGI script.	1517670.cif