Crystallography Open Database

Information card for entry 7150310

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Structure parameters

Formula	C46 H37 N O3
Calculated formula	C46 H37 N O3
SMILES	C12(C(C(=O)N1CCC)(c1ccccc1)c1ccccc1)C(=C(c1c2cccc1)c1ccccc1)OC(=O)C(c1ccccc1)c1ccccc1
Title of publication	On the reaction of diphenylketene with isocyanides.
Authors of publication	Robertson, Jeremy; Bell, Stephen J.; Krivokapic, Alexander
Journal of publication	Organic & biomolecular chemistry
Year of publication	2005
Journal volume	3
Journal issue	23
Pages of publication	4246 - 4251
a	11.608 ± 0.0003 Å
b	17.2569 ± 0.0005 Å
c	17.9855 ± 0.0005 Å
α	90°
β	103.702 ± 0.0017°
γ	90°
Cell volume	3500.29 ± 0.17 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
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	0.1193
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for all reflections	0.1191
Weighted residual factors for significantly intense reflections	0.0528
Weighted residual factors for all reflections included in the refinement	0.0528
Goodness-of-fit parameter for all reflections included in the refinement	0.9006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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