Crystallography Open Database

Information card for entry 4518103

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Coordinates	4518103.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H25 N O5
Calculated formula	C25 H25 N O5
Title of publication	Dual-Functional Enone-Directing Group/Electrophile for Sequential C‒C Bond Formation with α-Diazomalonates: A Short Synthesis of Chiral 3,4-Fused Tricyclic Indoles
Authors of publication	Harada, Shingo; Yanagawa, Mai; Nemoto, Tetsuhiro
Journal of publication	ACS Catalysis
Year of publication	2020
Pages of publication	11971 - 11979
a	11.568 ± 0.0003 Å
b	14.8438 ± 0.0004 Å
c	12.2105 ± 0.0003 Å
α	90°
β	94.94 ± 0.007°
γ	90°
Cell volume	2088.91 ± 0.1 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 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	0.0535
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.0958
Weighted residual factors for all reflections included in the refinement	0.1001
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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