Crystallography Open Database

Information card for entry 1504660

Preview

Coordinates	1504660.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 N2 O4
Calculated formula	C21 H20 N2 O4
SMILES	O=C1OC[C@@H](N2O[C@]3(c4ccccc4N(C3=O)C)[C@H](C)[C@@H]12)c1ccccc1
Title of publication	Synthesis of maremycins A and D1 via cycloaddition of a nitrone with (E)-3-ethylidene-1-methylindolin-2-one.
Authors of publication	Ueda, Tohru; Inada, Mitsuhide; Okamoto, Iwao; Morita, Nobuyoshi; Tamura, Osamu
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	10
Pages of publication	2043 - 2046
a	7.6455 ± 0.0013 Å
b	10.2121 ± 0.0017 Å
c	22.5 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1756.7 ± 0.5 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0306
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0738
Weighted residual factors for all reflections included in the refinement	0.0747
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
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.	1504660.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504660.cif
42265	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504660 via cif-deposit CGI script.	1504660.cif