Crystallography Open Database

Information card for entry 7107312

Preview

Coordinates	7107312.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26.93 H26.05 Br2 Cl1.07 N2 O0.63
Calculated formula	C26.93 H26.052 Br2 Cl1.07 N2 O0.631
Title of publication	A [2+2] cross-photodimerisation of photostable olefins via a three-component cocrystal solid solution
Authors of publication	Dejan-Kresimir Bucar; Arundhuti Sen; S. V. Santhana Mariappan; L.R.MacGillivray
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	1790
a	18.3233 ± 0.0019 Å
b	9.8023 ± 0.0011 Å
c	14.3984 ± 0.0015 Å
α	90°
β	93.253 ± 0.005°
γ	90°
Cell volume	2581.9 ± 0.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
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	0.0733
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1023
Weighted residual factors for all reflections included in the refinement	0.1096
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7107312.html