Crystallography Open Database

Information card for entry 4022365

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Structure parameters

Formula	C34 H31 N O4
Calculated formula	C34 H31 N O4
SMILES	N(c1c(C(=O)OC)cc(cc1C(=O)OC)C(C)(C)C)(c1c2ccccc2ccc1)c1c2c(ccc1)cccc2
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	10.9431 ± 0.0003 Å
b	11.7705 ± 0.0003 Å
c	12.3238 ± 0.0003 Å
α	99.2171 ± 0.0014°
β	92.7484 ± 0.0013°
γ	115.082 ± 0.0011°
Cell volume	1407.17 ± 0.06 Å³
Cell temperature	298 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0788
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1119
Weighted residual factors for all reflections included in the refinement	0.1282
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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