Crystallography Open Database

Information card for entry 1555167

Preview

Coordinates	1555167.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H20 O5
Calculated formula	C18 H20 O5
SMILES	O1[C@@]2(C)C=Cc3ccccc3C[C@@H]1CC2(C(=O)OC)C(=O)OC.O1[C@]2(C)C=Cc3ccccc3C[C@H]1CC2(C(=O)OC)C(=O)OC
Title of publication	Cooperative Photo-/Lewis Acid Catalyzed Tandem Intramolecular [3 + 2] Cross-Cycloadditions of Cyclopropane 1,1-Diesters with α,β-Unsaturated Carbonyls for Medium-Sized Carbocycles.
Authors of publication	Wang, Zhenjun; Chen, Shuai; Ren, Jun; Wang, Zhongwen
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	17
Pages of publication	4184 - 4187
a	10.526 ± 0.002 Å
b	19.394 ± 0.004 Å
c	7.8119 ± 0.0016 Å
α	90°
β	96.58 ± 0.03°
γ	90°
Cell volume	1584.2 ± 0.6 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 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 all reflections	0.0501
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1054
Weighted residual factors for all reflections included in the refinement	0.1107
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
238363 (current)	2019-11-24	cif/ Adding structures of 1555167 via cif-deposit CGI script.	1555167.cif