Crystallography Open Database

Information card for entry 7159880

Preview

Coordinates	7159880.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H24 O3
Calculated formula	C26 H24 O3
SMILES	C12=C(C(=O)CC(C2)(C)C)C(c2c(O1)ccc1c2cccc1)c1cc(OC)ccc1
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	10.0374 ± 0.0001 Å
b	12.7461 ± 0.0001 Å
c	15.5693 ± 0.0002 Å
α	90°
β	93.567 ± 0.001°
γ	90°
Cell volume	1988.04 ± 0.04 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	0.0357
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0845
Weighted residual factors for all reflections included in the refinement	0.0859
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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.	7159880.cif
291076	2024-04-05	cif/ Adding structures of 7159879, 7159880 via cif-deposit CGI script.	7159880.cif