Crystallography Open Database

Information card for entry 7133150

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Coordinates	7133150.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H30 N2 O4
Calculated formula	C28 H30 N2 O4
Title of publication	Stereoselective synthesis of 6/7/6-fused heterocycles with multiple stereocenters via internal redox reaction/inverse electron-demand hetero-Diels–Alder reaction sequence
Authors of publication	Sakai, Dan; Kojima, Tatsuhiro; Kawasaki-Takasuka, Tomoko; Mori, Keiji
Journal of publication	Chemical Communications
Year of publication	2024
a	14.4111 ± 0.0004 Å
b	20.2712 ± 0.0005 Å
c	10.3678 ± 0.0003 Å
α	90°
β	129.444 ± 0.002°
γ	90°
Cell volume	2338.94 ± 0.13 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0319
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0795
Weighted residual factors for all reflections included in the refinement	0.0807
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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