Crystallography Open Database

Information card for entry 7234081

Preview

Coordinates	7234081.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H51 N9 O6
Calculated formula	C48 H51 N9 O6
SMILES	Oc1cc(O)cc(O)c1.O(c1ccc(/N=N/c2ccncc2)cc1)CCC.O(c1ccc(/N=N/c2ccncc2)cc1)CCC.O(c1ccc(/N=N/c2ccncc2)cc1)CCC
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	12.4651 ± 0.0011 Å
b	14.1037 ± 0.0012 Å
c	24.879 ± 0.002 Å
α	90°
β	98.502 ± 0.002°
γ	90°
Cell volume	4325.8 ± 0.6 Å³
Cell temperature	90 ± 0.2 K
Ambient diffraction temperature	90 ± 0.2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0575
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.1058
Weighted residual factors for all reflections included in the refinement	0.1171
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
218735 (current)	2019-09-23	cif/ Adding structures of 7234080, 7234081 via cif-deposit CGI script.	7234081.cif