Crystallography Open Database

Information card for entry 7132853

Preview

Coordinates	7132853.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 O5
Calculated formula	C22 H20 O5
Title of publication	Ring expansion of spirocyclopropanes with stabilized sulfonium ylides: highly diastereoselective synthesis of cyclobutanes.
Authors of publication	Nambu, Hisanori; Onuki, Yuta; Aso, Kana; Kanamori, Momoka; Tomohara, Keisuke; Tsuge, Kiyoshi; Yakura, Takayuki
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	34
Pages of publication	4537 - 4540
a	9.08906 ± 0.00016 Å
b	9.90544 ± 0.00018 Å
c	20.1477 ± 0.0004 Å
α	90°
β	92.251 ± 0.007°
γ	90°
Cell volume	1812.52 ± 0.06 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0358
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0813
Weighted residual factors for all reflections included in the refinement	0.0826
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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