Crystallography Open Database

Information card for entry 2240919

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Structure parameters

Chemical name	2'-[(2',4'-Difluorobiphenyl-4-yl)carbonyl]-1'-phenyl-1',2',5',6',7',7a'-hexahydrospiro[indole-3,3'-pyrrolizin]-2(1<i>H</i>)-one
Formula	C33 H26 F2 N2 O2
Calculated formula	C33 H26 F2 N2 O2
Title of publication	Crystal structure of 2'-[(2',4'-difluorobiphenyl-4-yl)carbonyl]-1'-phenyl-1',2',5',6',7',7a'-hexahydrospiro[indole-3,3'-pyrrolizin]-2(1<i>H</i>)-one
Authors of publication	Fathimunnisa, M.; Manikandan, H.; Selvanayagam, S.; Sridhar, B.
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	8
Pages of publication	915 - 918
a	12.6019 ± 0.0013 Å
b	9.3128 ± 0.001 Å
c	22.441 ± 0.002 Å
α	90°
β	98.805 ± 0.002°
γ	90°
Cell volume	2602.6 ± 0.5 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0726
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1435
Weighted residual factors for all reflections included in the refinement	0.1549
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
181909 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/09	2240919.cif 2240919.hkl
146547	2015-07-12	cif/ hkl/ Adding structures of 2240919 via cif-deposit CGI script.	2240919.cif 2240919.hkl