Crystallography Open Database

Information card for entry 4038185

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Structure parameters

Formula	C24 H17 N O4
Calculated formula	C24 H17 N O4
SMILES	c1(c2ccccc2)c2c3cc(c(cc3C(=O)c3ccccc3c2no1)OC)OC
Title of publication	Synthesis of Dibenzosuberones Bearing an Isoxazole Group via Palladium-Catalyzed Intramolecular C-H/C-Br Bond Cross-Coupling of Ortho-Aroylated 3,5-Diarylisoxazoles.
Authors of publication	Chao, Tung; Su, Zhe-Hong; Yen, Ko-Wang; Wu, Ming-Jung; Chu, Jean-Ho
Journal of publication	The Journal of organic chemistry
Year of publication	2020
a	7.2343 ± 0.0002 Å
b	23.7071 ± 0.0005 Å
c	11.3591 ± 0.0003 Å
α	90°
β	105.831 ± 0.001°
γ	90°
Cell volume	1874.24 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0514
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1086
Weighted residual factors for all reflections included in the refinement	0.1172
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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