Crystallography Open Database

Information card for entry 2242832

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Structure parameters

Chemical name	6-(4-Chlorophenyl)-6a-nitro-6a,6b,8,9,10,12a-hexahydro-6<i>H</i>,7<i>H</i>-spiro[chromeno[3,4-<i>a</i>]indolizine-12,11'-indeno[1,2-<i>b</i>]quinoxaline]
Formula	C35 H27 Cl N4 O3
Calculated formula	C35 H27 Cl N4 O3
Title of publication	Crystal structure of 6-(4-chlorophenyl)-6a-nitro-6a,6b,8,9,10,12a-hexahydro-6<i>H</i>,7<i>H</i>-spiro[chromeno[3,4-<i>a</i>]indolizine-12,11'-indeno[1,2-<i>b</i>]quinoxaline]
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	255 - 259
a	14.188 ± 0.0001 Å
b	23.445 ± 0.0003 Å
c	18.371 ± 0.0002 Å
α	90°
β	104.541 ± 0.002°
γ	90°
Cell volume	5915.14 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1007
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1127
Weighted residual factors for all reflections included in the refinement	0.1281
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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.	2242832.cif 2242832.hkl
213350	2019-01-26	cif/ hkl/ Adding structures of 2242832 via cif-deposit CGI script.	2242832.cif 2242832.hkl