Crystallography Open Database

Information card for entry 4022364

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Structure parameters

Formula	C26 H27 N O4
Calculated formula	C26 H27 N O4
SMILES	O=C(OC)c1c(N(c2ccccc2)c2ccccc2)c(cc(c1)C(C)(C)C)C(=O)OC
Title of publication	Bridged Triarylamines: A New Class of Heterohelicenes
Authors of publication	Jason E. Field; Thomas J. Hill; D. Venkataraman
Journal of publication	Journal of Organic Chemistry
Year of publication	2003
Journal volume	68
Pages of publication	6071 - 6078
a	12.1636 ± 0.0004 Å
b	17.4913 ± 0.0006 Å
c	11.8633 ± 0.0003 Å
α	90°
β	110.623 ± 0.0013°
γ	90°
Cell volume	2362.26 ± 0.13 Å³
Cell temperature	298 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	0.1397
Residual factor for significantly intense reflections	0.0788
Weighted residual factors for significantly intense reflections	0.1896
Weighted residual factors for all reflections included in the refinement	0.2252
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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