Crystallography Open Database

Information card for entry 7238697

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Coordinates	7238697.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H27 N O2
Calculated formula	C36 H27 N O2
Title of publication	Novel syntheses of pyrrolo[2,1-a]isoquinolines via 1,3-dipolar cycloaddition between Isoquinoliniums and alkynes
Authors of publication	Shang, Yongjia; Wang, Lifen; He, Xinwei; Zhang, Min
Journal of publication	RSC Advances
Year of publication	2012
Journal volume	2
Journal issue	20
Pages of publication	7681
a	12.4387 ± 0.0009 Å
b	18.3179 ± 0.0014 Å
c	11.7836 ± 0.0009 Å
α	90°
β	94.461 ± 0.001°
γ	90°
Cell volume	2676.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.075
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.1606
Weighted residual factors for all reflections included in the refinement	0.1817
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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