Crystallography Open Database

Information card for entry 7158549

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Coordinates	7158549.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H26 N2 O3
Calculated formula	C33 H26 N2 O3
Title of publication	Ring opening and skeletal reconstruction of 3-vinyl benzofuranone-chromone synthons: catalyst-free access to skeletally-diverse 2-pyridone and optically active imidazoline derivatives
Authors of publication	Wang, Wei-Na; Liu, Ren-Ming; Zhang, Lei; Liu, Xiong-Li; Dai, Yi-Feng; Yu, Zhang-Biao; Peng, Li-Jun
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2022
a	8.5857 ± 0.0001 Å
b	11.065 ± 0.0001 Å
c	26.4839 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2515.99 ± 0.04 Å³
Cell temperature	179.99 ± 0.1 K
Ambient diffraction temperature	179.99 ± 0.1 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.029
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0758
Weighted residual factors for all reflections included in the refinement	0.0764
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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