Crystallography Open Database

Information card for entry 4035696

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Coordinates	4035696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H69 O15 P3
Calculated formula	C84 H69 O15 P3
Title of publication	Synthesis of Furan-Annelated BINOL Derivatives: Acid-Catalyzed Cyclization Induces Partial Racemization.
Authors of publication	Octa-Smolin, Frescilia; van der Vight, Felix; Yadav, Rohan; Bhangu, Jasmine; Soloviova, Kateryna; Wölper, Christoph; Daniliuc, Constantin G.; Strassert, Cristian A.; Somnitz, Holger; Jansen, Georg; Niemeyer, Jochen
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	23
Pages of publication	14568 - 14587
a	16.2255 ± 0.0005 Å
b	16.4626 ± 0.0005 Å
c	17.2473 ± 0.0005 Å
α	115.368 ± 0.002°
β	105.172 ± 0.002°
γ	95.372 ± 0.002°
Cell volume	3904.2 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1363
Residual factor for significantly intense reflections	0.1032
Weighted residual factors for significantly intense reflections	0.2197
Weighted residual factors for all reflections included in the refinement	0.2423
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
227144 (current)	2019-11-11	cif/ Adding structures of 4035696 via cif-deposit CGI script.	4035696.cif