Crystallography Open Database

Information card for entry 7220619

7220618 << 7220619 >> 7220620

Preview

Coordinates	7220619.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H24 N5 O2.5
Calculated formula	C23 H24 N5 O2.5
Title of publication	General Approach to Spiro Indole-3,1′-naphthalen Tetracyclic System: Stereoselective Pseudo Four-component Reaction of Isatins and Cyclic Ketones with two Molecules of Malononitrile
Authors of publication	Elinson, Michail N.; Vereshchagin, Anatoly N.; Nasybullin, Ruslan; Bobrovsky, Sergey; Ilovaisky, Alexey; Merkulova, Valentina; Bushmarinov, Ivan S.; Egorov, Mikhail
Journal of publication	RSC Adv.
Year of publication	2015
a	7.4809 ± 0.0018 Å
b	11.265 ± 0.003 Å
c	13.576 ± 0.003 Å
α	77.76 ± 0.006°
β	83.288 ± 0.007°
γ	70.811 ± 0.006°
Cell volume	1054.6 ± 0.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.1417
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.1538
Weighted residual factors for all reflections included in the refinement	0.2092
Goodness-of-fit parameter for all reflections included in the refinement	0.998
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	7220619.cif
137648	2015-06-02	cif/ Adding structures of 7220619 via cif-deposit CGI script.	7220619.cif