Crystallography Open Database

Information card for entry 4032346

Preview

Coordinates	4032346.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H26 O2
Calculated formula	C28 H26 O2
SMILES	c1(c(cc(c2ccc(cc12)c1ccccc1)c1ccccc1)OC)OC1CCCC1
Title of publication	Synthesis of Substituted 1,6-Diarylnaphthalenes via a Tandem Claisen Rearrangement and Ene Reaction Protocol.
Authors of publication	Chan, Chieh-Kai; Chen, Yu-Hsin; Tsai, Yu-Lin; Chang, Meng-Yang
Journal of publication	The Journal of organic chemistry
Year of publication	2017
Journal volume	82
Journal issue	6
Pages of publication	3317 - 3326
a	25.5837 ± 0.0007 Å
b	17.5631 ± 0.0005 Å
c	18.0778 ± 0.0005 Å
α	90°
β	95.177 ± 0.001°
γ	90°
Cell volume	8089.7 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.08
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1437
Weighted residual factors for all reflections included in the refinement	0.1703
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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