Crystallography Open Database

Information card for entry 7124698

Preview

Coordinates	7124698.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H57 N9 O6
Calculated formula	C51 H57 N9 O6
Title of publication	A modular approach towards functional supramolecular aggregates - subtle structural differences inducing liquid crystallinity.
Authors of publication	Pfletscher, Michael; Wölper, Christoph; Gutmann, Jochen S.; Mezger, Markus; Giese, Michael
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	55
Pages of publication	8549 - 8552
a	26.8526 ± 0.0007 Å
b	13.8261 ± 0.0004 Å
c	26.9848 ± 0.0007 Å
α	90°
β	111.812 ± 0.001°
γ	90°
Cell volume	9301.3 ± 0.4 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 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	0.1297
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.1373
Weighted residual factors for all reflections included in the refinement	0.1749
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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