Crystallography Open Database

Information card for entry 4035462

Preview

Coordinates	4035462.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H30 O6
Calculated formula	C26 H30 O6
SMILES	c1c(c(Cc2c(ccc(OC)c2)OC)cc(c1Cc1c(ccc(OC)c1)OC)OC)OC
Title of publication	Step-Growth Cyclo-Oligomerization for the Preparation of Di- and Tetrafunctionalized Pillar[5]arenes.
Authors of publication	Mao, Weipeng; Zhan, Shuaijun; Zhu, Bowei; Ma, Da
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	7
Pages of publication	4147 - 4152
a	7.765 ± 0.005 Å
b	8.873 ± 0.006 Å
c	9.701 ± 0.01 Å
α	104.552 ± 0.013°
β	105.653 ± 0.014°
γ	109.975 ± 0.009°
Cell volume	559.6 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0653
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.157
Weighted residual factors for all reflections included in the refinement	0.1749
Goodness-of-fit parameter for all reflections included in the refinement	0.991
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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