Crystallography Open Database

Information card for entry 7134341

Preview

Coordinates	7134341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H14 O
Calculated formula	C19 H14 O
Title of publication	Serendipitous pathway to naphtho[2,1-b]furan and its thioether enabled by triflic acid and thiol-mediated reaction
Authors of publication	Hemamalini, Vijayakumar; Senthil, Maheswaran; Shankar, Bhaskaran; Ramesh, Subburethinam
Journal of publication	Chemical Communications
Year of publication	2025
Journal volume	61
Journal issue	34
Pages of publication	6356 - 6359
a	26.0468 ± 0.0012 Å
b	6.2973 ± 0.0004 Å
c	8.0249 ± 0.0004 Å
α	90°
β	93.462 ± 0.004°
γ	90°
Cell volume	1313.88 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0517
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.1098
Weighted residual factors for all reflections included in the refinement	0.1145
Goodness-of-fit parameter for all reflections included in the refinement	0.977
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
300526 (current)	2025-07-06	cif/ Updating files of 7134340, 7134341 Original log message: Adding full bibliography for 7134340--7134341.cif.	7134341.cif
298541	2025-03-21	cif/ Adding structures of 7134340, 7134341 via cif-deposit CGI script.	7134341.cif