Crystallography Open Database

Information card for entry 1501976

1501975 << 1501976 >> 1501977

Preview

Coordinates	1501976.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H23 N O5
Calculated formula	C24 H23 N O5
SMILES	O=C(OCC)n1c2ccccc2c2c1O/C(=C/C(=O)OCC)CC2c1ccccc1
Title of publication	Unusual formal [4 + 2] cycloaddition of ethyl allenoate with arylidenoxindoles: synthesis of dihydropyran-fused indoles.
Authors of publication	Chen, Xiang-Yu; Wen, Ming-Wei; Ye, Song; Wang, Zhi-Xiang
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	5
Pages of publication	1138 - 1141
a	10.145 ± 0.002 Å
b	9.4248 ± 0.0019 Å
c	21.513 ± 0.004 Å
α	90°
β	100.57 ± 0.03°
γ	90°
Cell volume	2022.1 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0621
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1374
Weighted residual factors for all reflections included in the refinement	0.1504
Goodness-of-fit parameter for all reflections included in the refinement	1.211
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.	1501976.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1501976.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501976.cif
35312	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1501976 via cif-deposit CGI script.	1501976.cif