Crystallography Open Database

Information card for entry 4037495

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Coordinates	4037495.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H38 Cl2 O16
Calculated formula	C40 H37.8 Cl2 O15.9
Title of publication	2,2'-Spirobis[chromene] Derivatives Chemistry and Their Relation with the Multistate System of Anthocyanins.
Authors of publication	Moro, Artur J.; Parola, A. Jorge; Pina, Fernando; Pana, Ana-Maria; Badea, Valentin; Pausescu, Iulia; Shova, Sergiu; Cseh, Liliana
Journal of publication	The Journal of organic chemistry
Year of publication	2017
Journal volume	82
Journal issue	10
Pages of publication	5301 - 5309
a	7.305 ± 0.0009 Å
b	16.254 ± 0.003 Å
c	16.7183 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	1985.1 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.172
Residual factor for significantly intense reflections	0.096
Weighted residual factors for significantly intense reflections	0.2311
Weighted residual factors for all reflections included in the refinement	0.3041
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
236250 (current)	2019-11-24	cif/ Adding structures of 4037495 via cif-deposit CGI script.	4037495.cif