Crystallography Open Database

Information card for entry 2007352

2007351 << 2007352 >> 2007353

Preview

Coordinates	2007352.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	3-methyl-r-2,t-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	24.52 ± 0.02 Å
b	6.369 ± 0.006 Å
c	22.4 ± 0.02 Å
α	90°
β	90°
γ	90°
Cell volume	3498 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.108
Residual factor for significantly intense reflections	0.058
Weighted residual factors for all reflections	0.154
Weighted residual factors for significantly intense reflections	0.1355
Goodness-of-fit parameter for all reflections	1.012
Goodness-of-fit parameter for significantly intense reflections	1.124
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.