Crystallography Open Database

Information card for entry 7225221

Preview

Coordinates	7225221.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H28 N2 O4
Calculated formula	C34 H28 N2 O4
SMILES	c12ccccc1[C@]1(C(=O)N2C)[C@]2([C@H]([C@H](c3ccc(cc3)C)O1)c1ccccc1)c1ccccc1N(C2=O)C(=O)C.c12ccccc1[C@@]1(C(=O)N2C)[C@@]2([C@@H]([C@@H](c3ccc(cc3)C)O1)c1ccccc1)c1ccccc1N(C2=O)C(=O)C
Title of publication	Rhodium- catalyzed cycloaddition of carbonyl ylides for the synthesis of spiro[furo[2,3-a]xanthene-2,3'-indolin]-2'-one scaffolds
Authors of publication	Basireddy, Venkata Subba Reddy; Elala, Pravardhan Reddy; Balasubramanian, Sridhar; Yerrabelly, JayaPrakash Rao
Journal of publication	RSC Adv.
Year of publication	2016
a	10.4245 ± 0.0008 Å
b	11.2214 ± 0.0009 Å
c	12.1997 ± 0.001 Å
α	96.489 ± 0.001°
β	94.707 ± 0.001°
γ	108.616 ± 0.001°
Cell volume	1333.14 ± 0.18 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 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	0.0427
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.1049
Weighted residual factors for all reflections included in the refinement	0.1092
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
182928 (current)	2016-05-13	cif/ Adding structures of 7225221 via cif-deposit CGI script.	7225221.cif