Crystallography Open Database

Information card for entry 7236972

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Coordinates	7236972.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Binol-CHO
Formula	C76 H2.5 O8
Calculated formula	C76 H58 O8
Title of publication	Chiral organic photonics: self-assembled micro-resonators for an enhanced circular dichroism effect in the non-linear optical signal
Authors of publication	Venkatakrishnarao, Dasari; Sahoo, Chakradhar; Mamonov, Evgeniy A.; Novikov, Vladimir B.; Mitetelo, Nikolai V.; Naraharisetty, Sri Ram G.; Murzina, Tatiana V.; Chandrasekar, Rajadurai
Journal of publication	Journal of Materials Chemistry C
Year of publication	2017
Journal volume	5
Journal issue	47
Pages of publication	12349
a	8.273 ± 0.0005 Å
b	25.4125 ± 0.0018 Å
c	28.576 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	6007.8 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1661
Residual factor for significantly intense reflections	0.0787
Weighted residual factors for significantly intense reflections	0.2015
Weighted residual factors for all reflections included in the refinement	0.2454
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
236679 (current)	2019-11-24	cif/ Adding structures of 7236972 via cif-deposit CGI script.	7236972.cif