Crystallography Open Database

Information card for entry 7133184

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Coordinates	7133184.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H21 N O4
Calculated formula	C26 H21 N O4
Title of publication	Catalyst-free reaction of 2-(4<i>H</i>-benzo[<i>d</i>][1,3]oxazin-4-yl)acrylates: synthesis of 1,2-dihydroquinolines and 2,3-dihydropyrroles.
Authors of publication	Wang, Tao; Lu, Zhongyue; Li, Pengfei
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	54
Pages of publication	6933 - 6936
a	6.9055 ± 0.0004 Å
b	21.4299 ± 0.0011 Å
c	27.6189 ± 0.0015 Å
α	90°
β	92.031 ± 0.002°
γ	90°
Cell volume	4084.6 ± 0.4 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0899
Residual factor for significantly intense reflections	0.0753
Weighted residual factors for significantly intense reflections	0.2086
Weighted residual factors for all reflections included in the refinement	0.2168
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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