Crystallography Open Database

Information card for entry 4518536

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Coordinates	4518536.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H30 O3 Si
Calculated formula	C25 H30 O3 Si
Title of publication	Diastereotopic Group-Selective Intramolecular Aldol Reactions Initiated by Enantioselective Conjugate Silylation: Diastereodivergence Controlled by the Silicon Nucleophile
Authors of publication	Zhang, Liangliang; Oestreich, Martin
Journal of publication	ACS Catalysis
Year of publication	2021
Journal volume	11
Journal issue	6
Pages of publication	3516 - 3522
a	10.4612 ± 0.0006 Å
b	6.7009 ± 0.0003 Å
c	15.9349 ± 0.001 Å
α	90°
β	102.822 ± 0.006°
γ	90°
Cell volume	1089.17 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.01 ± 0.1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0537
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.0853
Weighted residual factors for all reflections included in the refinement	0.0938
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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