Crystallography Open Database

Information card for entry 2102105

Preview

Coordinates	2102105.cif
Original IUCr paper	HTML

Structure parameters

Formula	C10 H11 N O
Calculated formula	C10 H11 N O
SMILES	NC(=O)/C=C/c1ccc(cc1)C.O=C(N)[C@@H]1[C@@H](c2ccc(cc2)C)[C@@H](C(=O)N)[C@@H]1c1ccc(cc1)C.O=C(N)[C@@H]1[C@@H](c2ccc(cc2)C)[C@@H](C(=O)N)[C@@H]1c1ccc(cc1)C.O=C(N)[C@@H]1[C@@H](c2ccc(cc2)C)[C@@H](C(=O)N)[C@@H]1c1ccc(cc1)C
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	22.444 ± 0.001 Å
b	9.557 ± 0.002 Å
c	8.632 ± 0.001 Å
α	90°
β	94.5 ± 0.01°
γ	90°
Cell volume	1845.8 ± 0.4 Å³
Cell temperature	298 ± 1 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 significantly intense reflections	0.062
Weighted residual factors for all reflections included in the refinement	0.212
Goodness-of-fit parameter for all reflections included in the refinement	1.19
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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