Crystallography Open Database

Information card for entry 7158054

Preview

Coordinates	7158054.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H28 O7
Calculated formula	C27 H28 O7
SMILES	c1(c(cc2C3c4cc(c(cc4C(c2c1)(Cc1cc(c(cc31)OC)OC)O)OC)OC)OC)OC
Title of publication	Bsi(OTf)<sub>3</sub>-mediated tandem annulation of 1-aryl isochroman-3-ones with oxygenated arenes: one-pot synthesis of polyoxygenated homotriptycenes.
Authors of publication	Chang, Meng-Yang; Lin, Chun-Yi; Chen, Shin-Mei; Hsiao, Yu-Ting
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	21
Pages of publication	4733 - 4742
a	15.2055 ± 0.0018 Å
b	17.986 ± 0.002 Å
c	8.4082 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2299.5 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1004
Residual factor for significantly intense reflections	0.069
Weighted residual factors for significantly intense reflections	0.1332
Weighted residual factors for all reflections included in the refinement	0.1476
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
266179 (current)	2021-06-05	cif/ Updating files of 7158054, 7158055 Original log message: Adding full bibliography for 7158054--7158055.cif.	7158054.cif
265033	2021-05-07	cif/ Adding structures of 7158054, 7158055 via cif-deposit CGI script.	7158054.cif