Crystallography Open Database

Information card for entry 2236643

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Structure parameters

Chemical name	Propan-2-yl <i>r</i>-4-(4-fluorophenyl)-3-hydroxy-<i>c</i>-6-methyl-2-phenyl- 4,5-dihydro-2<i>H</i>-indazole-<i>t</i>-5-carboxylate
Formula	C24 H23 F N2 O3
Calculated formula	C24 H23 F N2 O3
SMILES	CC(OC(=O)[C@H]1C(=Cc2c([C@@H]1c1ccc(cc1)F)c(O)n(n2)c1ccccc1)C)C.CC(OC(=O)[C@@H]1C(=Cc2c([C@H]1c1ccc(cc1)F)c(O)n(n2)c1ccccc1)C)C
Title of publication	Propan-2-yl <i>r</i>-4-(4-fluorophenyl)-3-hydroxy-<i>c</i>-6-methyl-2-phenyl-4,5-dihydro-2<i>H</i>-indazole-<i>t</i>-5-carboxylate
Authors of publication	Rizwana Begum, S.; Hema, R.; Pandiarajan, K.; Balasubramanian, Sridhar; Anitha, A. G.
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	10
Pages of publication	o3021 - o3022
a	17.64 ± 0.001 Å
b	11.0295 ± 0.0006 Å
c	11.3791 ± 0.0006 Å
α	90°
β	99.133 ± 0.001°
γ	90°
Cell volume	2185.9 ± 0.2 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	0.0676
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1242
Weighted residual factors for all reflections included in the refinement	0.1352
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
181288 (current)	2016-04-03	hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/66.	2236643.cif 2236643.hkl
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2236643.cif 2236643.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2236643.cif 2236643.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2236643.cif 2236643.hkl
74188	2013-02-22	hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013.	2236643.cif 2236643.hkl
70238	2012-12-21	cif/ Adding structures of 2236643 via cif-deposit CGI script.	2236643.cif