Crystallography Open Database

Information card for entry 4516903

Preview

Coordinates	4516903.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H23.15 N O4.07
Calculated formula	C27 H23.1495 N O4.07475
Title of publication	Facile Synthesis of Pyrrolyl 4-Quinolinone Alkaloid Quinolactacide by 9-AJ-Catalyzed Tandem Acyl Transfer-Cyclization of <i>o</i>-Alkynoylaniline Derivatives.
Authors of publication	Saito, Koya; Yoshida, Masahito; Uekusa, Hidehiro; Doi, Takayuki
Journal of publication	ACS omega
Year of publication	2017
Journal volume	2
Journal issue	8
Pages of publication	4370 - 4381
a	39.0066 ± 0.0013 Å
b	22.1515 ± 0.0006 Å
c	21.675 ± 0.0006 Å
α	90°
β	107.667 ± 0.0012°
γ	90°
Cell volume	17845.1 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1405
Residual factor for significantly intense reflections	0.0655
Weighted residual factors for significantly intense reflections	0.1527
Weighted residual factors for all reflections included in the refinement	0.2233
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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