Crystallography Open Database

Information card for entry 1504176

Preview

Coordinates	1504176.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H26 N2 O2
Calculated formula	C22 H26 N2 O2
SMILES	O=C1Nc2c(C1(C(C=C)(C)C)c1c(OC)cc(N(C)C)cc1)cccc2
Title of publication	Protecting-group-free synthesis of 3-tert-prenylated oxindoles: contiguous all-carbon quaternary centers via tertiary neopentyl substitution.
Authors of publication	Grant, Christopher D.; Krische, Michael J.
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	20
Pages of publication	4485 - 4487
a	8.816 ± 0.0001 Å
b	13.762 ± 0.0002 Å
c	31.213 ± 0.0005 Å
α	90°
β	94.584 ± 0.001°
γ	90°
Cell volume	3774.83 ± 0.09 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.0953
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.1225
Weighted residual factors for all reflections included in the refinement	0.1426
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71074 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.	1504176.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504176.cif
39453	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1504176 via cif-deposit CGI script.	1504176.cif