Crystallography Open Database

Information card for entry 7159879

Preview

Coordinates	7159879.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H10 O2
Calculated formula	C17 H10 O2
SMILES	O1c2ccccc2C(=O)c2c1ccc1c2cccc1
Title of publication	Deconstructive annulation mediated one-pot synthesis of xanthene derivatives.
Authors of publication	Manikandan, Balasubramaniyam; Thamotharan, Subbiah; Blacque, Olivier; Selva Ganesan, Subramaniapillai
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	16
Pages of publication	3279 - 3286
a	7.1212 ± 0.0001 Å
b	12.502 ± 0.0001 Å
c	12.8247 ± 0.0001 Å
α	90°
β	95.551 ± 0.001°
γ	90°
Cell volume	1136.42 ± 0.02 Å³
Cell temperature	160 ± 0.1 K
Ambient diffraction temperature	160 ± 0.1 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0363
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.1013
Weighted residual factors for all reflections included in the refinement	0.1034
Goodness-of-fit parameter for all reflections included in the refinement	1.097
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291688 (current)	2024-05-05	cif/ Updating files of 7159879, 7159880 Original log message: Adding full bibliography for 7159879--7159880.cif.	7159879.cif
291076	2024-04-05	cif/ Adding structures of 7159879, 7159880 via cif-deposit CGI script.	7159879.cif