Crystallography Open Database

Information card for entry 7234080

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Coordinates	7234080.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H63 N3 O6
Calculated formula	C57 H63 N3 O6
Title of publication	Tuning the photonic properties of chiral nematic mesoporous organosilica with hydrogen-bonded liquid-crystalline assemblies
Authors of publication	Michael Giese; Tim Krappitz; Ronald Y. Dong; Carl A. Michal; Wadood Y. Hamad; Brian O. Patrick; Mark J. MacLachlan
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	1537 - 1545
a	11.3178 ± 0.001 Å
b	21.3745 ± 0.0018 Å
c	21.9731 ± 0.0018 Å
α	70.045 ± 0.004°
β	76.206 ± 0.005°
γ	88.942 ± 0.005°
Cell volume	4840.8 ± 0.7 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 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	0.0855
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1239
Weighted residual factors for all reflections included in the refinement	0.1429
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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