Crystallography Open Database

Information card for entry 2242820

Preview

Structure parameters

Chemical name	6'-(4-Chlorophenyl)-6a'-nitro-6a',6b',7',9',10',12a'-hexahydro-2<i>H</i>,6'<i>H</i>,8'<i>H</i>-spiro[acenaphthylene-1,12'-chromeno[3,4-<i>a</i>]indolizin]-2-one
Formula	C32 H25 Cl N2 O4
Calculated formula	C32 H25 Cl N2 O4
Title of publication	The crystal structures of 6'-(4-chlorophenyl)- and 6'-(4-methoxyphenyl)-6a'-nitro-6a',6b',7',9',10',12a'-hexahydro-2<i>H</i>,6'<i>H</i>,8'<i>H</i>-spiro[acenaphthylene-1,12'-chromeno[3,4-<i>a</i>]indolizin]-2-one
Authors of publication	Syed Abuthahir, S.; NizamMohideen, M.; Viswanathan, V.; Velmurugan, D.; Nagasivarao, J.
Journal of publication	Acta Crystallographica Section E
Year of publication	2019
Journal volume	75
Journal issue	2
Pages of publication	218 - 222
a	10.6777 ± 0.0004 Å
b	11.6095 ± 0.0004 Å
c	12.6037 ± 0.0008 Å
α	98.383 ± 0.003°
β	105.378 ± 0.003°
γ	115.522 ± 0.002°
Cell volume	1297.32 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0737
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1294
Weighted residual factors for all reflections included in the refinement	0.1503
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
301807 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure.	2242820.cif
213118	2019-01-16	cif/ Adding structures of 2242820, 2242821 via cif-deposit CGI script.	2242820.cif