Crystallography Open Database

Information card for entry 7105332

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Structure parameters

Formula	C26 H36 N2 O4
Calculated formula	C26 H36 N2 O4
SMILES	O=C(N(C)C(C)(C)C)c1cccc(OC)c1c1c(OC)cccc1C(=O)N(C)C(C)(C)C
Title of publication	Spontaneous symmetry breaking during interrupted crystallization of an axially chiral amino acid derivative.
Authors of publication	Sephton, Mark A; Emerson, Christopher R; Zakharov, Lev N; Blakemore, Paul R
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	12
Pages of publication	2094 - 2096
a	10.5558 ± 0.0007 Å
b	10.4979 ± 0.0007 Å
c	11.4257 ± 0.0008 Å
α	90°
β	103.691 ± 0.001°
γ	90°
Cell volume	1230.15 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0351
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0844
Weighted residual factors for all reflections included in the refinement	0.0868
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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