Crystallography Open Database

Information card for entry 1547559

Preview

Coordinates	1547559.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H14 O5
Calculated formula	C15 H14 O5
SMILES	O1C(=C[C@H]2[C@@](c3ccccc3)([C@@H]12)C(=O)OC)C(=O)OC
Title of publication	Rh(II)-Catalyzed Cyclopropanation of Furans and Its Application to the Total Synthesis of Natural Product Derivatives.
Authors of publication	Lehner, Verena; Davies, Huw M. L.; Reiser, Oliver
Journal of publication	Organic letters
Year of publication	2017
Journal volume	19
Journal issue	18
Pages of publication	4722 - 4725
a	9.82867 ± 0.00019 Å
b	6.11703 ± 0.00012 Å
c	11.6406 ± 0.0002 Å
α	90°
β	100.472 ± 0.0019°
γ	90°
Cell volume	688.2 ± 0.02 Å³
Cell temperature	123.01 ± 0.1 K
Ambient diffraction temperature	123.01 ± 0.1 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0268
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0763
Weighted residual factors for all reflections included in the refinement	0.0768
Goodness-of-fit parameter for all reflections included in the refinement	1.151
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
201710 (current)	2017-10-05	cif/ Adding structures of 1547559 via cif-deposit CGI script.	1547559.cif