Crystallography Open Database

Information card for entry 1507090

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Structure parameters

Formula	C14 H16 O2
Calculated formula	C14 H16 O2
SMILES	O=C1c2c(CC(C1(O)C=C)(C)C)cccc2
Title of publication	New ring-expansion reactions of hydroxy propenoyl cyclic compounds under palladium(0)/phosphine-catalyzed conditions
Authors of publication	Nagao, Yoshimitsu; Tanaka, Satoru; Ueki, Akiharu; Kumazawa, Masunori; Goto, Satoru; Ooi, Takashi; Sano, Shigeki; Shiro, Motoo
Journal of publication	Organic Letters
Year of publication	2004
Journal volume	6
Journal issue	13
Pages of publication	2133 - 2136
a	13.224 ± 0.001 Å
b	10.135 ± 0.001 Å
c	18.076 ± 0.001 Å
α	90°
β	108.44 ± 0.01°
γ	90°
Cell volume	2298.3 ± 0.3 Å³
Cell temperature	93.2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for all reflections included in the refinement	0.0606
Goodness-of-fit parameter for all reflections included in the refinement	0.949
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
275141 (current)	2022-05-06	cif/1/50/70/ Replaced the "¥" sequences with backslash symbols ("\") in multiple data values in entries 1507090-1507091.	1507090.cif
275134	2022-05-06	cif/1/50/70/ Updated bibliographic information in entries 1507090-1507091.	1507090.cif
201954	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1507090.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1507090.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507090.cif
51667	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1507090 via cif-deposit CGI script.	1507090.cif