Crystallography Open Database

Information card for entry 7155104

Preview

Coordinates	7155104.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H25 O5 P
Calculated formula	C24 H25 O5 P
SMILES	P1(=O)(OCC(CO1)(C)C)C(c1ccc2c(c1C(=O)OC)cccc2)c1ccccc1
Title of publication	Regioselective carboannulation of electron-deficient allenes with dialkyl (2-formylphenyl)malonates leading to multisubstituted naphthalenes.
Authors of publication	Koppanathi, Nagaraju; Swamy, K. C. Kumara
Journal of publication	Organic & biomolecular chemistry
Year of publication	2016
Journal volume	14
Journal issue	22
Pages of publication	5079 - 5087
a	17.381 ± 0.003 Å
b	13.319 ± 0.002 Å
c	18.156 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4203.1 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0777
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1147
Weighted residual factors for all reflections included in the refinement	0.1328
Goodness-of-fit parameter for all reflections included in the refinement	0.954
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
183748 (current)	2016-06-18	cif/ Updating files of 7155104 Original log message: Adding full bibliography for 7155104.cif.	7155104.cif
182810	2016-05-06	cif/ Adding structures of 7155104 via cif-deposit CGI script.	7155104.cif