Crystallography Open Database

Information card for entry 7133178

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Coordinates	7133178.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H18 N2 O5
Calculated formula	C23 H18 N2 O5
Title of publication	Phosphine-Catalyzed Dearomative [3 + 2] Cycloaddition of 4-Nitroisoxazoles with Allenoates or Morita−Baylis−Hillman Carbonates
Authors of publication	He, Yongjun; He, Tian-Juan; Cheng, Xiufang; Wei, Yibo; Wang, Huamin; Lin, Ying-Wu
Journal of publication	Chemical Communications
Year of publication	2024
a	11.6492 ± 0.0005 Å
b	7.4491 ± 0.0003 Å
c	22.0277 ± 0.0009 Å
α	90°
β	97.248 ± 0.001°
γ	90°
Cell volume	1896.2 ± 0.14 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0448
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.115
Weighted residual factors for all reflections included in the refinement	0.1172
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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