Crystallography Open Database

Information card for entry 1555041

Preview

Coordinates	1555041.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H24 O3
Calculated formula	C23 H24 O3
SMILES	Oc1c2ccccc2c(cc1C(=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	8.428 ± 0.003 Å
b	11.011 ± 0.003 Å
c	11.459 ± 0.003 Å
α	65.415 ± 0.008°
β	87.993 ± 0.015°
γ	89.668 ± 0.015°
Cell volume	966.4 ± 0.5 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	0.1148
Residual factor for significantly intense reflections	0.0724
Weighted residual factors for significantly intense reflections	0.2165
Weighted residual factors for all reflections included in the refinement	0.2395
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
238289 (current)	2019-11-24	cif/ Adding structures of 1555041 via cif-deposit CGI script.	1555041.cif