Crystallography Open Database

Information card for entry 2102109

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Structure parameters

Formula	C9 H9 N O
Calculated formula	C9 H9 N O
SMILES	O=C(N)/C=C/c1ccccc1
Title of publication	Crystal-to-crystal photodimerization of <i>trans</i>-cinnamamides
Authors of publication	Hosomi, Hiroyuki; Ito, Yoshikatsu; Ohba, Shigeru
Journal of publication	Acta Crystallographica Section B
Year of publication	2000
Journal volume	56
Journal issue	4
Pages of publication	682 - 689
a	16.047 ± 0.002 Å
b	5.084 ± 0.002 Å
c	9.584 ± 0.002 Å
α	90°
β	94.06 ± 0.01°
γ	90°
Cell volume	779.9 ± 0.4 Å³
Cell temperature	298 ± 1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.04
Weighted residual factors for all reflections included in the refinement	0.121
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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