Crystallography Open Database

Information card for entry 2007351

2007350 << 2007351 >> 2007352

Preview

Coordinates	2007351.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	3-methyl-r-2,c-3,c-5-triphenylpyrrolidine
Formula	C23 H23 N
Calculated formula	C23 H23 N
SMILES	N1[C@@H]([C@](C[C@@H]1c1ccccc1)(C)c1ccccc1)c1ccccc1.N1[C@H]([C@@](C[C@H]1c1ccccc1)(C)c1ccccc1)c1ccccc1
Title of publication	Racemic 3-Methyl-<i>r</i>-2,<i>c</i>-3,<i>c</i>-5-triphenylpyrrolidine and 3-Methyl-<i>r</i>-2,<i>t</i>-3,<i>c</i>-5-triphenylpyrrolidine
Authors of publication	Lucjan B. Jerzykiewicz; Tadeusz Lis; Janusz Baran; Danuta Dziewońska-Baran
Journal of publication	Acta Crystallographica Section C
Year of publication	1998
Journal volume	54
Journal issue	6
Pages of publication	867 - 870
a	8.514 ± 0.006 Å
b	19.39 ± 0.012 Å
c	21.94 ± 0.012 Å
α	90°
β	90°
γ	90°
Cell volume	3622 ± 4 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1405
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for all reflections	0.1325
Weighted residual factors for significantly intense reflections	0.1061
Goodness-of-fit parameter for all reflections	1.026
Goodness-of-fit parameter for significantly intense reflections	1.301
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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