Crystallography Open Database

Information card for entry 4519255

4519254 << 4519255 >> 4519256

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Coordinates	4519255.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H44 O2
Calculated formula	C48 H44 O2
Title of publication	Reactivity of Vinyl Epoxides/Oxetanes/Cyclopropanes toward Arynes: Access to Functionalized Phenanthrenes
Authors of publication	Liu, Jiupeng; Tang, Shuo; Zhao, Mengyao; Huai, Jianing; Yu, Jingya; Zhao, Jingjing; Li, Pan
Journal of publication	ACS Omega
Year of publication	2021
Journal volume	6
Journal issue	51
Pages of publication	35852 - 35865
a	23.34 ± 0.02 Å
b	9.228 ± 0.006 Å
c	16.238 ± 0.011 Å
α	90°
β	92.475 ± 0.019°
γ	90°
Cell volume	3494 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 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	0.0935
Residual factor for significantly intense reflections	0.0779
Weighted residual factors for significantly intense reflections	0.203
Weighted residual factors for all reflections included in the refinement	0.2132
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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