Crystallography Open Database

Information card for entry 7123437

Preview

Coordinates	7123437.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H20 O4
Calculated formula	C18 H20 O4
Title of publication	Ring-opening cyclization of spirocyclopropanes with stabilized sulfonium ylides for the construction of a chromane skeleton
Authors of publication	Nambu, Hisanori; Onuki, Yuta; Ono, Naoki; Tsuge, Kiyoshi; Yakura, Takayuki
Journal of publication	Chemical Communications
Year of publication	2019
a	8.05576 ± 0.00016 Å
b	24.7866 ± 0.0005 Å
c	15.4543 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3085.84 ± 0.11 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	3
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0259
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for significantly intense reflections	0.0632
Weighted residual factors for all reflections included in the refinement	0.0636
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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