Information card for entry 7100340

Structure parameters

• Common name: DP-1-137
• Formula: C21 H23 N3 O
• Calculated formula: C21 H23 N3 O
• SMILES: O1[C@@]2(N(C3C[C@@H]4C[C@@H](CC2C4)C3)C)C=Nc2c3cnccc3ccc12.O1[C@]2(N(C3C[C@H]4C[C@H](CC2C4)C3)C)C=Nc2c3cnccc3ccc12
• Title of publication: Photochromism of a Spirooxazine in the Single Crystalline Phase
• Authors of publication: D.G. Patel; J.B. Benedict; N.L. Frank; Roni A. Kopelman
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 6.634 ± 0.0002 Å
• b: 15.327 ± 0.0004 Å
• c: 16.205 ± 0.0006 Å
• α: 90°
• β: 100.558 ± 0.0012°
• γ: 90°
• Cell volume: 1619.82 ± 0.09 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No