Crystallography Open Database

Information card for entry 4025064

Preview

Coordinates	4025064.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 O2
Calculated formula	C12 H14 O2
Title of publication	Synthesis of [n,5]-Spiroketals by Ring Enlargement of Donor-Acceptor-Substituted Cyclopropane Derivatives
Authors of publication	Christian Brand; Gesche Rauch; Michele Zanoni; Birger Dittrich; Daniel B. Werz
Journal of publication	Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Pages of publication	8779 - 8786
a	26.262 ± 0.003 Å
b	26.262 ± 0.003 Å
c	5.8835 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	4057.8 ± 0.8 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0731
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for all reflections included in the refinement	0.0288
Goodness-of-fit parameter for all reflections included in the refinement	1.8176
Diffraction radiation wavelength	0.71073 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178429 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/50.	4025064.cif
120074	2014-07-11	Adding DOIs to range 4/02 structures.	4025064.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4025064.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4025064.cif
948	2010-01-19	cif/ Adding CIFs for the Acta-Cryst-B-2009_06/ Acta-Cryst-C-2009_12/ Acta-Cryst-E-2009_12/ J-Appl-Cryst-2009_06/ J-Org-Chem-2009/ deposition.	4025064.cif