Crystallography Open Database

Information card for entry 7062732

Preview

Coordinates	7062732.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H34 O8
Calculated formula	C28 H34 O8
Title of publication	Calcium-catalyzed dehydrative allylation of P-ylides and sequential Wittig reaction for streamlined access to versatile 1,4-dienes
Authors of publication	Li, Xiaohong; Zhang, Dong; Wang, Yan; Xiao, Shiji; Wu, Ying; Xie, Peizhong; Loh, Teck-Peng
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	40
Pages of publication	18779 - 18784
a	5.4044 ± 0.0003 Å
b	14.2246 ± 0.0007 Å
c	17.758 ± 0.0008 Å
α	79.753 ± 0.002°
β	81.874 ± 0.002°
γ	81.718 ± 0.002°
Cell volume	1319.95 ± 0.12 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 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	0.0444
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.1112
Weighted residual factors for all reflections included in the refinement	0.1133
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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