Crystallography Open Database

Information card for entry 7160849

Preview

Coordinates	7160849.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H31 N O4
Calculated formula	C31 H31 N O4
Title of publication	Base-promoted [4 + 2] cycloaddition of <i>para</i>-quinone methides (<i>p</i>-QMs) and 3-cyanochromones: facile access to chromeno[2,3-<i>b</i>]chromenes.
Authors of publication	Qiao, Qiwei; Sun, Hong; Sudprasert, Pirada; Cheng, Jin
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	47
Pages of publication	10669 - 10673
a	9.3834 ± 0.0005 Å
b	16.1469 ± 0.0009 Å
c	17.4024 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2636.7 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.039
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0883
Weighted residual factors for all reflections included in the refinement	0.0915
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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