Crystallography Open Database

Information card for entry 1568723

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Coordinates	1568723.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H27 B N2 O4 S
Calculated formula	C18 H27 B N2 O4 S
Title of publication	Rhodium-catalyzed double hydroboration of pyridine: the origin of the chemo- and regioselectivities
Authors of publication	Choi, Hyoju; Wang, Ruibin; Kim, Suyeon; Kim, Dongwook; Baik, Mu-Hyun; Park, Sehoon
Journal of publication	Catalysis Science & Technology
Year of publication	2023
Journal volume	13
Journal issue	9
Pages of publication	2735 - 2747
a	6.4445 ± 0.0015 Å
b	11.458 ± 0.003 Å
c	13.656 ± 0.003 Å
α	80.205 ± 0.007°
β	85.649 ± 0.007°
γ	82.844 ± 0.007°
Cell volume	984.4 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1182
Residual factor for significantly intense reflections	0.0892
Weighted residual factors for significantly intense reflections	0.2382
Weighted residual factors for all reflections included in the refinement	0.2708
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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