Crystallography Open Database

Information card for entry 2008971

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Structure parameters

Formula	C9 H7 N
Calculated formula	C9 H7 N
Title of publication	Isoquinoline
Authors of publication	Hensen, Karl; Mayr-Stein, Ralf; Bolte, Michael
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	9
Pages of publication	1565 - 1567
a	7.839 ± 0.002 Å
b	5.99 ± 0.001 Å
c	8.244 ± 0.002 Å
α	90°
β	116.88 ± 0.01°
γ	90°
Cell volume	345.28 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
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	0.0517
Residual factor for significantly intense reflections	0.047
Weighted residual factors for all reflections included in the refinement	0.1331
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

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