Crystallography Open Database

Information card for entry 7219490

7219489 << 7219490 >> 7219491

Preview

Coordinates	7219490.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(3aS,5S,10bS*)-5-(hydroxy(o-tolyl)amino)-10-tosyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione
Formula	C29 H26 Cl3 N3 O5 S
Calculated formula	C29 H26 Cl3 N3 O5 S
Title of publication	Diastereoselective synthesis of functionalised carbazoles via a sequential Diels‒Alder/ene reaction strategy
Authors of publication	Cowell, Joseph; Abualnaja, Matokah; Morton, Stephanie; Linder, Ruth; Buckingham, Faye; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.
Journal of publication	RSC Adv.
Year of publication	2015
Journal volume	5
Journal issue	21
Pages of publication	16125
a	10.0614 ± 0.0005 Å
b	10.2208 ± 0.0005 Å
c	15.2649 ± 0.0007 Å
α	104.231 ± 0.004°
β	95.071 ± 0.004°
γ	109.24 ± 0.004°
Cell volume	1411.79 ± 0.13 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0537
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1265
Weighted residual factors for all reflections included in the refinement	0.1296
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
180525 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/94.	7219490.cif
131179	2015-02-05	cif/ Adding structures of 7219490, 7219491, 7219492, 7219493, 7219494, 7219495, 7219496 via cif-deposit CGI script.	7219490.cif