Crystallography Open Database

Information card for entry 1571478

Preview

Coordinates	1571478.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H16 O3
Calculated formula	C27 H16 O3
SMILES	O=c1oc2ccc3ccc4occ(c4c3c2c(c2ccccc2)c1)c1ccccc1
Title of publication	Padlocking dihydrofurannulation for the control of small degree of helicity built on a fused-tetracyclic core.
Authors of publication	Gaucherand, Arthur; Yen-Pon, Expédite; García-López, Diego; Naubron, Jean-Valère; Chentouf, Sara; Giorgi, Michel; Humbel, Stéphane; Jean, Marion; Rodriguez, Jean; Bonne, Damien
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	19
Pages of publication	7300 - 7307
a	10.93381 ± 0.00014 Å
b	15.53317 ± 0.00018 Å
c	11.17806 ± 0.00014 Å
α	90°
β	92.8746 ± 0.0012°
γ	90°
Cell volume	1896.06 ± 0.04 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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	0.0378
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0957
Weighted residual factors for all reflections included in the refinement	0.0992
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
292887 (current)	2024-07-05	cif/ Updating files of 1571472, 1571473, 1571474, 1571475, 1571476, 1571477, 1571478 Original log message: Adding full bibliography for 1571472--1571478.cif.	1571478.cif
291318	2024-04-23	cif/ Adding structures of 1571472, 1571473, 1571474, 1571475, 1571476, 1571477, 1571478 via cif-deposit CGI script.	1571478.cif