Crystallography Open Database

Information card for entry 4025508

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Structure parameters

Formula	C24 H20 N2
Calculated formula	C24 H20 N2
SMILES	n1c(C=C)cn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Thermal 1,3-Trityl Migrations in Diels-Alder Domino Reactions of 1-Trityl-4-vinyl-1H-imidazoles
Authors of publication	Lynsey J. Cotterill; Ross W. Harrington; William Clegg; Michael J. Hall
Journal of publication	Journal of Organic Chemistry
Year of publication	2010
Journal volume	75
Pages of publication	4604 - 4607
a	7.245 ± 0.0004 Å
b	10.7383 ± 0.0007 Å
c	11.5383 ± 0.0006 Å
α	90°
β	98.399 ± 0.006°
γ	90°
Cell volume	888.04 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1571
Weighted residual factors for all reflections included in the refinement	0.161
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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