Crystallography Open Database

Information card for entry 7159782

Preview

Coordinates	7159782.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H18 O4
Calculated formula	C21 H18 O4
Title of publication	One-pot synthesis of benzofused 8-oxabicyclo[3.3.1]nonanes <i>via</i> GaCl<sub>3</sub>-mediated cyclocondensation of <i>o</i>-allylbenzaldehydes and 1,3-dicarbonyl synthons.
Authors of publication	Chang, Meng-Yang; Lee, Yan-Ling
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	8
Pages of publication	1646 - 1653
a	36.9306 ± 0.0009 Å
b	36.9306 ± 0.0009 Å
c	6.4911 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	7666.9 ± 0.4 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	3
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.055
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1242
Weighted residual factors for all reflections included in the refinement	0.1294
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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