Crystallography Open Database

Information card for entry 1555039

Preview

Coordinates	1555039.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H28 O5
Calculated formula	C26 H28 O5
SMILES	Oc1c2ccccc2c(c(c1C(=O)OCC)C(=O)OCC)c1ccc(cc1)C(C)(C)C
Title of publication	Silver(I)-Catalyzed Regioselective Construction of Highly Substituted α-Naphthols and Its Application toward Expeditious Synthesis of Lignan Natural Products.
Authors of publication	Naresh, Gunaganti; Kant, Ruchir; Narender, Tadigoppula
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	14
Pages of publication	3446 - 3449
a	10.896 ± 0.004 Å
b	11.118 ± 0.005 Å
c	11.442 ± 0.004 Å
α	109.812 ± 0.005°
β	100.766 ± 0.0013°
γ	111.223 ± 0.006°
Cell volume	1137.4 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1048
Residual factor for significantly intense reflections	0.0663
Weighted residual factors for significantly intense reflections	0.1736
Weighted residual factors for all reflections included in the refinement	0.1906
Goodness-of-fit parameter for all reflections included in the refinement	0.856
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
238287 (current)	2019-11-24	cif/ Adding structures of 1555039 via cif-deposit CGI script.	1555039.cif