Crystallography Open Database

Information card for entry 1542369

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Structure parameters

Formula	C25 H15 N O2
Calculated formula	C25 H15 N O2
SMILES	O1c2ccccc2c2c(n3ccc4ccccc4c3c2c2ccccc2)C1=O
Title of publication	Visible-Light-Promoted and Yb(OTf)3-Catalyzed Constructions of Coumarin-Pyrrole-(Iso)quinoline-Fused Pentacycles: Synthesis of Lamellarin Core, Lamellarin D Trimethyl Ether, and Lamellarin H.
Authors of publication	Manjappa, Kiran B.; Syu, Jia-Ru; Yang, Ding-Yah
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	2
Pages of publication	332 - 335
a	23.3899 ± 0.0008 Å
b	6.7857 ± 0.0003 Å
c	11.147 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1769.22 ± 0.13 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0759
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1806
Weighted residual factors for all reflections included in the refinement	0.1989
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1542369.cif
175730	2016-02-04	cif/ Adding structures of 1542369 via cif-deposit CGI script.	1542369.cif