Crystallography Open Database

Information card for entry 1547398

Preview

Coordinates	1547398.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H29 B O2
Calculated formula	C23 H29 B O2
SMILES	O1C(C(OB1C[C@@H](/C=C(/c1ccccc1)C)c1ccccc1)(C)C)(C)C
Title of publication	Iron-Catalyzed Hydroboration of Vinylcyclopropanes.
Authors of publication	Chen, Chenhui; Shen, Xuzhong; Chen, Jianhui; Hong, Xin; Lu, Zhan
Journal of publication	Organic letters
Year of publication	2017
Journal volume	19
Journal issue	19
Pages of publication	5422 - 5425
a	6.8529 ± 0.0003 Å
b	11.4799 ± 0.0004 Å
c	26.6681 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2098 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0665
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1578
Weighted residual factors for all reflections included in the refinement	0.1687
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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