Crystallography Open Database

Information card for entry 4033282

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Coordinates	4033282.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H43 N O4
Calculated formula	C39 H43 N O4
Title of publication	Asymmetric Synthesis of Dihydrocoumarins through Chiral Phosphoric Acid Catalyzed Cycloannulation of para-Quinone Methides and Azlactones.
Authors of publication	Zhang, Zhi-Pei; Xie, Kai-Xue; Yang, Chen; Li, Man; Li, Xin
Journal of publication	The Journal of organic chemistry
Year of publication	2017
a	15.6496 ± 0.0001 Å
b	15.6496 ± 0.0001 Å
c	28.7595 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	6099.84 ± 0.08 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294.15 K
Number of distinct elements	4
Space group number	170
Hermann-Mauguin space group symbol	P 65
Hall space group symbol	P 65
Residual factor for all reflections	0.0572
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.1594
Weighted residual factors for all reflections included in the refinement	0.1636
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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